USER MOD reduce.3.24.130724 H: found=0, std=0, add=608, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 606 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 63 HIS HD1 : A 63 HIS ND1 : A 201 ZNZN :(H bumps) USER MOD Set 1.1: A 70 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 71 THR OG1 : rot 43:sc= 0.328 USER MOD Set 2.1: A 37 THR OG1 : rot 31:sc= 0.0403 USER MOD Set 2.2: A 42 HIS : no HD1:sc= -0.314 X(o=-0.27,f=0.032) USER MOD Single : A 1 GLY N :NH3+ -113:sc= 0.0732 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 33:sc= 1.25 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= -0.062 USER MOD Single : A 22 HIS : no HE2:sc= -0.424 K(o=-0.42,f=-3!) USER MOD Single : A 24 SER OG : rot 44:sc= 0.772 USER MOD Single : A 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= -1.32! C(o=-1.3!,f=-5!) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= -0.528 X(o=-0.53,f=-0.51) USER MOD Single : A 45 SER OG : rot 115:sc= 1.02 USER MOD Single : A 46 TYR OH : rot -147:sc= -2.32! USER MOD Single : A 49 MET CE :methyl 165:sc= -2.72 (180deg=-3.76!) USER MOD Single : A 54 ASN : amide:sc= -0.566 K(o=-0.57,f=-12!) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 150:sc= 0.727 (180deg=-0.231) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=0.16) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 28:sc= 0.0112 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -48.850 69.199 -6.012 1.00 0.00 N ATOM 2 CA GLY A 1 -48.268 69.227 -7.341 1.00 0.00 C ATOM 3 C GLY A 1 -46.791 69.570 -7.320 1.00 0.00 C ATOM 4 O GLY A 1 -46.265 70.018 -6.302 1.00 0.00 O ATOM 0 H1 GLY A 1 -49.127 68.225 -5.775 1.00 0.00 H new ATOM 0 H2 GLY A 1 -48.152 69.539 -5.320 1.00 0.00 H new ATOM 0 H3 GLY A 1 -49.689 69.813 -5.987 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -48.405 68.255 -7.815 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -48.799 69.957 -7.952 1.00 0.00 H new ATOM 8 N SER A 2 -46.120 69.357 -8.448 1.00 0.00 N ATOM 9 CA SER A 2 -44.694 69.642 -8.554 1.00 0.00 C ATOM 10 C SER A 2 -44.243 69.623 -10.011 1.00 0.00 C ATOM 11 O SER A 2 -44.835 68.940 -10.847 1.00 0.00 O ATOM 12 CB SER A 2 -43.888 68.623 -7.745 1.00 0.00 C ATOM 13 OG SER A 2 -44.228 67.298 -8.112 1.00 0.00 O ATOM 0 H SER A 2 -46.541 68.988 -9.301 1.00 0.00 H new ATOM 0 HA SER A 2 -44.516 70.639 -8.150 1.00 0.00 H new ATOM 0 HB2 SER A 2 -42.823 68.786 -7.907 1.00 0.00 H new ATOM 0 HB3 SER A 2 -44.075 68.769 -6.681 1.00 0.00 H new ATOM 0 HG SER A 2 -43.699 66.666 -7.583 1.00 0.00 H new ATOM 19 N SER A 3 -43.191 70.379 -10.308 1.00 0.00 N ATOM 20 CA SER A 3 -42.661 70.454 -11.665 1.00 0.00 C ATOM 21 C SER A 3 -41.833 69.215 -11.993 1.00 0.00 C ATOM 22 O SER A 3 -41.989 68.615 -13.056 1.00 0.00 O ATOM 23 CB SER A 3 -41.807 71.712 -11.833 1.00 0.00 C ATOM 24 OG SER A 3 -42.601 72.882 -11.744 1.00 0.00 O ATOM 0 H SER A 3 -42.688 70.949 -9.627 1.00 0.00 H new ATOM 0 HA SER A 3 -43.503 70.501 -12.356 1.00 0.00 H new ATOM 0 HB2 SER A 3 -41.033 71.735 -11.066 1.00 0.00 H new ATOM 0 HB3 SER A 3 -41.300 71.685 -12.797 1.00 0.00 H new ATOM 0 HG SER A 3 -42.032 73.672 -11.853 1.00 0.00 H new ATOM 30 N GLY A 4 -40.951 68.839 -11.072 1.00 0.00 N ATOM 31 CA GLY A 4 -40.111 67.674 -11.281 1.00 0.00 C ATOM 32 C GLY A 4 -38.949 67.958 -12.213 1.00 0.00 C ATOM 33 O GLY A 4 -39.105 68.650 -13.218 1.00 0.00 O ATOM 0 H GLY A 4 -40.803 69.320 -10.185 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -39.727 67.329 -10.321 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -40.714 66.864 -11.692 1.00 0.00 H new ATOM 37 N SER A 5 -37.779 67.423 -11.877 1.00 0.00 N ATOM 38 CA SER A 5 -36.585 67.627 -12.688 1.00 0.00 C ATOM 39 C SER A 5 -35.490 66.637 -12.300 1.00 0.00 C ATOM 40 O SER A 5 -35.549 66.013 -11.241 1.00 0.00 O ATOM 41 CB SER A 5 -36.072 69.060 -12.528 1.00 0.00 C ATOM 42 OG SER A 5 -35.475 69.249 -11.257 1.00 0.00 O ATOM 0 H SER A 5 -37.633 66.845 -11.049 1.00 0.00 H new ATOM 0 HA SER A 5 -36.851 67.459 -13.731 1.00 0.00 H new ATOM 0 HB2 SER A 5 -35.346 69.279 -13.311 1.00 0.00 H new ATOM 0 HB3 SER A 5 -36.897 69.761 -12.654 1.00 0.00 H new ATOM 0 HG SER A 5 -35.154 70.172 -11.180 1.00 0.00 H new ATOM 48 N SER A 6 -34.491 66.500 -13.167 1.00 0.00 N ATOM 49 CA SER A 6 -33.384 65.584 -12.919 1.00 0.00 C ATOM 50 C SER A 6 -32.243 65.833 -13.900 1.00 0.00 C ATOM 51 O SER A 6 -32.351 66.669 -14.796 1.00 0.00 O ATOM 52 CB SER A 6 -33.860 64.134 -13.029 1.00 0.00 C ATOM 53 OG SER A 6 -34.385 63.675 -11.796 1.00 0.00 O ATOM 0 H SER A 6 -34.426 67.012 -14.047 1.00 0.00 H new ATOM 0 HA SER A 6 -33.016 65.762 -11.909 1.00 0.00 H new ATOM 0 HB2 SER A 6 -34.622 64.056 -13.804 1.00 0.00 H new ATOM 0 HB3 SER A 6 -33.029 63.497 -13.334 1.00 0.00 H new ATOM 0 HG SER A 6 -34.820 64.419 -11.328 1.00 0.00 H new ATOM 59 N GLY A 7 -31.148 65.099 -13.724 1.00 0.00 N ATOM 60 CA GLY A 7 -30.002 65.254 -14.600 1.00 0.00 C ATOM 61 C GLY A 7 -28.689 64.993 -13.889 1.00 0.00 C ATOM 62 O GLY A 7 -28.617 65.053 -12.662 1.00 0.00 O ATOM 0 H GLY A 7 -31.035 64.400 -12.990 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -30.098 64.569 -15.443 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -29.995 66.264 -15.009 1.00 0.00 H new ATOM 66 N SER A 8 -27.648 64.700 -14.661 1.00 0.00 N ATOM 67 CA SER A 8 -26.332 64.422 -14.097 1.00 0.00 C ATOM 68 C SER A 8 -25.273 64.357 -15.194 1.00 0.00 C ATOM 69 O SER A 8 -25.330 63.524 -16.098 1.00 0.00 O ATOM 70 CB SER A 8 -26.355 63.107 -13.317 1.00 0.00 C ATOM 71 OG SER A 8 -25.041 62.641 -13.063 1.00 0.00 O ATOM 0 H SER A 8 -27.690 64.649 -15.679 1.00 0.00 H new ATOM 0 HA SER A 8 -26.077 65.235 -13.417 1.00 0.00 H new ATOM 0 HB2 SER A 8 -26.882 63.249 -12.374 1.00 0.00 H new ATOM 0 HB3 SER A 8 -26.908 62.356 -13.881 1.00 0.00 H new ATOM 0 HG SER A 8 -25.083 61.800 -12.562 1.00 0.00 H new ATOM 77 N PRO A 9 -24.283 65.259 -15.114 1.00 0.00 N ATOM 78 CA PRO A 9 -23.192 65.325 -16.090 1.00 0.00 C ATOM 79 C PRO A 9 -22.247 64.132 -15.986 1.00 0.00 C ATOM 80 O PRO A 9 -22.416 63.269 -15.125 1.00 0.00 O ATOM 81 CB PRO A 9 -22.463 66.619 -15.720 1.00 0.00 C ATOM 82 CG PRO A 9 -22.766 66.825 -14.276 1.00 0.00 C ATOM 83 CD PRO A 9 -24.152 66.282 -14.063 1.00 0.00 C ATOM 0 HA PRO A 9 -23.561 65.306 -17.115 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -21.390 66.532 -15.891 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -22.814 67.457 -16.322 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -22.042 66.306 -13.647 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -22.716 67.882 -14.014 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -24.267 65.853 -13.068 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -24.908 67.060 -14.163 1.00 0.00 H new ATOM 91 N GLU A 10 -21.253 64.092 -16.868 1.00 0.00 N ATOM 92 CA GLU A 10 -20.282 63.004 -16.874 1.00 0.00 C ATOM 93 C GLU A 10 -19.089 63.344 -17.762 1.00 0.00 C ATOM 94 O GLU A 10 -19.214 64.104 -18.723 1.00 0.00 O ATOM 95 CB GLU A 10 -20.938 61.708 -17.355 1.00 0.00 C ATOM 96 CG GLU A 10 -20.103 60.467 -17.086 1.00 0.00 C ATOM 97 CD GLU A 10 -20.855 59.184 -17.381 1.00 0.00 C ATOM 98 OE1 GLU A 10 -21.547 59.126 -18.419 1.00 0.00 O ATOM 99 OE2 GLU A 10 -20.751 58.237 -16.573 1.00 0.00 O ATOM 0 H GLU A 10 -21.099 64.799 -17.587 1.00 0.00 H new ATOM 0 HA GLU A 10 -19.925 62.865 -15.854 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -21.906 61.597 -16.866 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -21.128 61.783 -18.426 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -19.199 60.502 -17.695 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -19.785 60.466 -16.043 1.00 0.00 H new ATOM 106 N TYR A 11 -17.934 62.777 -17.433 1.00 0.00 N ATOM 107 CA TYR A 11 -16.717 63.022 -18.199 1.00 0.00 C ATOM 108 C TYR A 11 -15.586 62.112 -17.730 1.00 0.00 C ATOM 109 O TYR A 11 -15.738 61.359 -16.769 1.00 0.00 O ATOM 110 CB TYR A 11 -16.294 64.487 -18.070 1.00 0.00 C ATOM 111 CG TYR A 11 -15.302 64.926 -19.123 1.00 0.00 C ATOM 112 CD1 TYR A 11 -15.721 65.245 -20.409 1.00 0.00 C ATOM 113 CD2 TYR A 11 -13.947 65.021 -18.833 1.00 0.00 C ATOM 114 CE1 TYR A 11 -14.818 65.645 -21.375 1.00 0.00 C ATOM 115 CE2 TYR A 11 -13.038 65.422 -19.792 1.00 0.00 C ATOM 116 CZ TYR A 11 -13.478 65.733 -21.061 1.00 0.00 C ATOM 117 OH TYR A 11 -12.575 66.132 -22.020 1.00 0.00 O ATOM 0 H TYR A 11 -17.814 62.145 -16.642 1.00 0.00 H new ATOM 0 HA TYR A 11 -16.927 62.802 -19.246 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -17.180 65.119 -18.132 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -15.858 64.645 -17.084 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -16.770 65.179 -20.657 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -13.598 64.777 -17.840 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -15.160 65.887 -22.370 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -11.988 65.492 -19.549 1.00 0.00 H new ATOM 0 HH TYR A 11 -11.673 66.142 -21.636 1.00 0.00 H new ATOM 127 N GLY A 12 -14.450 62.188 -18.417 1.00 0.00 N ATOM 128 CA GLY A 12 -13.309 61.367 -18.058 1.00 0.00 C ATOM 129 C GLY A 12 -12.035 61.811 -18.748 1.00 0.00 C ATOM 130 O GLY A 12 -12.020 62.825 -19.445 1.00 0.00 O ATOM 0 H GLY A 12 -14.300 62.804 -19.216 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -13.165 61.403 -16.978 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -13.516 60.329 -18.318 1.00 0.00 H new ATOM 134 N MET A 13 -10.963 61.050 -18.554 1.00 0.00 N ATOM 135 CA MET A 13 -9.677 61.372 -19.163 1.00 0.00 C ATOM 136 C MET A 13 -8.781 60.139 -19.223 1.00 0.00 C ATOM 137 O MET A 13 -8.716 59.343 -18.287 1.00 0.00 O ATOM 138 CB MET A 13 -8.981 62.486 -18.379 1.00 0.00 C ATOM 139 CG MET A 13 -9.325 63.882 -18.872 1.00 0.00 C ATOM 140 SD MET A 13 -8.211 65.142 -18.222 1.00 0.00 S ATOM 141 CE MET A 13 -7.000 65.236 -19.539 1.00 0.00 C ATOM 0 H MET A 13 -10.959 60.207 -17.980 1.00 0.00 H new ATOM 0 HA MET A 13 -9.861 61.716 -20.181 1.00 0.00 H new ATOM 0 HB2 MET A 13 -9.254 62.404 -17.327 1.00 0.00 H new ATOM 0 HB3 MET A 13 -7.902 62.343 -18.441 1.00 0.00 H new ATOM 0 HG2 MET A 13 -9.289 63.898 -19.961 1.00 0.00 H new ATOM 0 HG3 MET A 13 -10.348 64.123 -18.583 1.00 0.00 H new ATOM 0 HE1 MET A 13 -6.241 65.976 -19.284 1.00 0.00 H new ATOM 0 HE2 MET A 13 -6.528 64.262 -19.669 1.00 0.00 H new ATOM 0 HE3 MET A 13 -7.493 65.527 -20.467 1.00 0.00 H new ATOM 151 N PRO A 14 -8.072 59.976 -20.350 1.00 0.00 N ATOM 152 CA PRO A 14 -7.166 58.843 -20.559 1.00 0.00 C ATOM 153 C PRO A 14 -5.926 58.921 -19.674 1.00 0.00 C ATOM 154 O PRO A 14 -5.816 59.801 -18.821 1.00 0.00 O ATOM 155 CB PRO A 14 -6.778 58.965 -22.034 1.00 0.00 C ATOM 156 CG PRO A 14 -6.950 60.410 -22.353 1.00 0.00 C ATOM 157 CD PRO A 14 -8.099 60.886 -21.508 1.00 0.00 C ATOM 0 HA PRO A 14 -7.637 57.893 -20.306 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -5.750 58.642 -22.201 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -7.414 58.342 -22.663 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -6.042 60.970 -22.129 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -7.159 60.554 -23.413 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -7.971 61.925 -21.205 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -9.045 60.824 -22.045 1.00 0.00 H new ATOM 165 N SER A 15 -4.996 57.995 -19.884 1.00 0.00 N ATOM 166 CA SER A 15 -3.765 57.958 -19.103 1.00 0.00 C ATOM 167 C SER A 15 -2.692 57.142 -19.818 1.00 0.00 C ATOM 168 O SER A 15 -2.986 56.379 -20.738 1.00 0.00 O ATOM 169 CB SER A 15 -4.033 57.366 -17.717 1.00 0.00 C ATOM 170 OG SER A 15 -3.028 57.752 -16.795 1.00 0.00 O ATOM 0 H SER A 15 -5.071 57.261 -20.588 1.00 0.00 H new ATOM 0 HA SER A 15 -3.404 58.980 -18.990 1.00 0.00 H new ATOM 0 HB2 SER A 15 -5.007 57.698 -17.358 1.00 0.00 H new ATOM 0 HB3 SER A 15 -4.072 56.279 -17.784 1.00 0.00 H new ATOM 0 HG SER A 15 -3.223 57.363 -15.917 1.00 0.00 H new ATOM 176 N VAL A 16 -1.445 57.309 -19.387 1.00 0.00 N ATOM 177 CA VAL A 16 -0.328 56.588 -19.984 1.00 0.00 C ATOM 178 C VAL A 16 0.183 55.496 -19.052 1.00 0.00 C ATOM 179 O VAL A 16 -0.157 55.464 -17.868 1.00 0.00 O ATOM 180 CB VAL A 16 0.834 57.539 -20.327 1.00 0.00 C ATOM 181 CG1 VAL A 16 0.390 58.582 -21.342 1.00 0.00 C ATOM 182 CG2 VAL A 16 1.368 58.204 -19.067 1.00 0.00 C ATOM 0 H VAL A 16 -1.184 57.937 -18.627 1.00 0.00 H new ATOM 0 HA VAL A 16 -0.700 56.133 -20.902 1.00 0.00 H new ATOM 0 HB VAL A 16 1.639 56.954 -20.771 1.00 0.00 H new ATOM 0 HG11 VAL A 16 1.224 59.245 -21.572 1.00 0.00 H new ATOM 0 HG12 VAL A 16 0.060 58.085 -22.254 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -0.433 59.165 -20.928 1.00 0.00 H new ATOM 0 HG21 VAL A 16 2.188 58.872 -19.328 1.00 0.00 H new ATOM 0 HG22 VAL A 16 0.571 58.776 -18.592 1.00 0.00 H new ATOM 0 HG23 VAL A 16 1.728 57.441 -18.377 1.00 0.00 H new ATOM 192 N THR A 17 1.002 54.599 -19.592 1.00 0.00 N ATOM 193 CA THR A 17 1.559 53.503 -18.810 1.00 0.00 C ATOM 194 C THR A 17 3.028 53.275 -19.150 1.00 0.00 C ATOM 195 O THR A 17 3.421 53.332 -20.315 1.00 0.00 O ATOM 196 CB THR A 17 0.781 52.194 -19.042 1.00 0.00 C ATOM 197 OG1 THR A 17 -0.597 52.375 -18.699 1.00 0.00 O ATOM 198 CG2 THR A 17 1.370 51.061 -18.215 1.00 0.00 C ATOM 0 H THR A 17 1.294 54.610 -20.569 1.00 0.00 H new ATOM 0 HA THR A 17 1.472 53.788 -17.761 1.00 0.00 H new ATOM 0 HB THR A 17 0.861 51.932 -20.097 1.00 0.00 H new ATOM 0 HG1 THR A 17 -1.085 51.539 -18.851 1.00 0.00 H new ATOM 0 HG21 THR A 17 0.804 50.147 -18.395 1.00 0.00 H new ATOM 0 HG22 THR A 17 2.411 50.906 -18.500 1.00 0.00 H new ATOM 0 HG23 THR A 17 1.318 51.317 -17.157 1.00 0.00 H new ATOM 206 N PHE A 18 3.834 53.018 -18.126 1.00 0.00 N ATOM 207 CA PHE A 18 5.261 52.782 -18.317 1.00 0.00 C ATOM 208 C PHE A 18 5.497 51.523 -19.147 1.00 0.00 C ATOM 209 O PHE A 18 4.630 50.655 -19.240 1.00 0.00 O ATOM 210 CB PHE A 18 5.964 52.654 -16.964 1.00 0.00 C ATOM 211 CG PHE A 18 7.397 53.104 -16.988 1.00 0.00 C ATOM 212 CD1 PHE A 18 7.725 54.393 -17.375 1.00 0.00 C ATOM 213 CD2 PHE A 18 8.415 52.238 -16.624 1.00 0.00 C ATOM 214 CE1 PHE A 18 9.043 54.809 -17.399 1.00 0.00 C ATOM 215 CE2 PHE A 18 9.734 52.648 -16.646 1.00 0.00 C ATOM 216 CZ PHE A 18 10.049 53.936 -17.033 1.00 0.00 C ATOM 0 H PHE A 18 3.524 52.968 -17.155 1.00 0.00 H new ATOM 0 HA PHE A 18 5.676 53.634 -18.855 1.00 0.00 H new ATOM 0 HB2 PHE A 18 5.420 53.241 -16.224 1.00 0.00 H new ATOM 0 HB3 PHE A 18 5.923 51.614 -16.639 1.00 0.00 H new ATOM 0 HD1 PHE A 18 6.943 55.080 -17.661 1.00 0.00 H new ATOM 0 HD2 PHE A 18 8.175 51.230 -16.319 1.00 0.00 H new ATOM 0 HE1 PHE A 18 9.286 55.816 -17.704 1.00 0.00 H new ATOM 0 HE2 PHE A 18 10.518 51.962 -16.361 1.00 0.00 H new ATOM 0 HZ PHE A 18 11.079 54.260 -17.049 1.00 0.00 H new ATOM 226 N GLY A 19 6.679 51.432 -19.749 1.00 0.00 N ATOM 227 CA GLY A 19 7.010 50.277 -20.564 1.00 0.00 C ATOM 228 C GLY A 19 8.502 50.018 -20.623 1.00 0.00 C ATOM 229 O GLY A 19 9.295 50.945 -20.785 1.00 0.00 O ATOM 0 H GLY A 19 7.413 52.137 -19.687 1.00 0.00 H new ATOM 0 HA2 GLY A 19 6.507 49.397 -20.163 1.00 0.00 H new ATOM 0 HA3 GLY A 19 6.630 50.428 -21.574 1.00 0.00 H new ATOM 233 N SER A 20 8.886 48.752 -20.490 1.00 0.00 N ATOM 234 CA SER A 20 10.294 48.373 -20.524 1.00 0.00 C ATOM 235 C SER A 20 10.458 46.935 -21.004 1.00 0.00 C ATOM 236 O SER A 20 9.536 46.126 -20.905 1.00 0.00 O ATOM 237 CB SER A 20 10.921 48.535 -19.138 1.00 0.00 C ATOM 238 OG SER A 20 12.216 47.961 -19.094 1.00 0.00 O ATOM 0 H SER A 20 8.242 47.972 -20.358 1.00 0.00 H new ATOM 0 HA SER A 20 10.805 49.032 -21.226 1.00 0.00 H new ATOM 0 HB2 SER A 20 10.980 49.593 -18.884 1.00 0.00 H new ATOM 0 HB3 SER A 20 10.285 48.062 -18.390 1.00 0.00 H new ATOM 0 HG SER A 20 12.596 48.079 -18.198 1.00 0.00 H new ATOM 244 N VAL A 21 11.641 46.623 -21.526 1.00 0.00 N ATOM 245 CA VAL A 21 11.928 45.282 -22.021 1.00 0.00 C ATOM 246 C VAL A 21 11.347 44.218 -21.097 1.00 0.00 C ATOM 247 O VAL A 21 11.186 44.444 -19.897 1.00 0.00 O ATOM 248 CB VAL A 21 13.444 45.049 -22.165 1.00 0.00 C ATOM 249 CG1 VAL A 21 14.114 45.039 -20.800 1.00 0.00 C ATOM 250 CG2 VAL A 21 13.715 43.752 -22.911 1.00 0.00 C ATOM 0 H VAL A 21 12.415 47.281 -21.617 1.00 0.00 H new ATOM 0 HA VAL A 21 11.460 45.201 -23.002 1.00 0.00 H new ATOM 0 HB VAL A 21 13.867 45.869 -22.745 1.00 0.00 H new ATOM 0 HG11 VAL A 21 15.184 44.873 -20.921 1.00 0.00 H new ATOM 0 HG12 VAL A 21 13.949 45.997 -20.307 1.00 0.00 H new ATOM 0 HG13 VAL A 21 13.690 44.240 -20.192 1.00 0.00 H new ATOM 0 HG21 VAL A 21 14.791 43.603 -23.004 1.00 0.00 H new ATOM 0 HG22 VAL A 21 13.280 42.918 -22.361 1.00 0.00 H new ATOM 0 HG23 VAL A 21 13.269 43.804 -23.904 1.00 0.00 H new ATOM 260 N HIS A 22 11.033 43.057 -21.663 1.00 0.00 N ATOM 261 CA HIS A 22 10.471 41.956 -20.888 1.00 0.00 C ATOM 262 C HIS A 22 11.311 41.681 -19.645 1.00 0.00 C ATOM 263 O HIS A 22 12.530 41.854 -19.639 1.00 0.00 O ATOM 264 CB HIS A 22 10.381 40.694 -21.747 1.00 0.00 C ATOM 265 CG HIS A 22 11.660 40.356 -22.450 1.00 0.00 C ATOM 266 ND1 HIS A 22 12.862 40.200 -21.792 1.00 0.00 N ATOM 267 CD2 HIS A 22 11.920 40.142 -23.761 1.00 0.00 C ATOM 268 CE1 HIS A 22 13.806 39.907 -22.668 1.00 0.00 C ATOM 269 NE2 HIS A 22 13.260 39.865 -23.870 1.00 0.00 N ATOM 0 H HIS A 22 11.158 42.854 -22.655 1.00 0.00 H new ATOM 0 HA HIS A 22 9.469 42.243 -20.570 1.00 0.00 H new ATOM 0 HB2 HIS A 22 10.090 39.854 -21.116 1.00 0.00 H new ATOM 0 HB3 HIS A 22 9.592 40.824 -22.488 1.00 0.00 H new ATOM 0 HD1 HIS A 22 13.000 40.296 -20.786 1.00 0.00 H new ATOM 0 HD2 HIS A 22 11.206 40.182 -24.570 1.00 0.00 H new ATOM 0 HE1 HIS A 22 14.847 39.732 -22.440 1.00 0.00 H new ATOM 278 N PRO A 23 10.646 41.244 -18.565 1.00 0.00 N ATOM 279 CA PRO A 23 11.312 40.937 -17.296 1.00 0.00 C ATOM 280 C PRO A 23 12.183 39.688 -17.386 1.00 0.00 C ATOM 281 O PRO A 23 11.903 38.779 -18.167 1.00 0.00 O ATOM 282 CB PRO A 23 10.147 40.707 -16.330 1.00 0.00 C ATOM 283 CG PRO A 23 9.013 40.285 -17.199 1.00 0.00 C ATOM 284 CD PRO A 23 9.193 41.016 -18.500 1.00 0.00 C ATOM 0 HA PRO A 23 11.988 41.734 -16.988 1.00 0.00 H new ATOM 0 HB2 PRO A 23 10.388 39.940 -15.594 1.00 0.00 H new ATOM 0 HB3 PRO A 23 9.906 41.615 -15.777 1.00 0.00 H new ATOM 0 HG2 PRO A 23 9.021 39.206 -17.354 1.00 0.00 H new ATOM 0 HG3 PRO A 23 8.056 40.535 -16.740 1.00 0.00 H new ATOM 0 HD2 PRO A 23 8.841 40.425 -19.345 1.00 0.00 H new ATOM 0 HD3 PRO A 23 8.638 41.954 -18.514 1.00 0.00 H new ATOM 292 N SER A 24 13.241 39.651 -16.582 1.00 0.00 N ATOM 293 CA SER A 24 14.155 38.515 -16.573 1.00 0.00 C ATOM 294 C SER A 24 13.583 37.363 -15.752 1.00 0.00 C ATOM 295 O SER A 24 13.835 37.257 -14.552 1.00 0.00 O ATOM 296 CB SER A 24 15.515 38.932 -16.010 1.00 0.00 C ATOM 297 OG SER A 24 15.387 39.443 -14.694 1.00 0.00 O ATOM 0 H SER A 24 13.486 40.395 -15.928 1.00 0.00 H new ATOM 0 HA SER A 24 14.284 38.176 -17.601 1.00 0.00 H new ATOM 0 HB2 SER A 24 16.189 38.075 -16.007 1.00 0.00 H new ATOM 0 HB3 SER A 24 15.963 39.688 -16.655 1.00 0.00 H new ATOM 0 HG SER A 24 14.783 38.869 -14.178 1.00 0.00 H new ATOM 303 N ASP A 25 12.811 36.504 -16.408 1.00 0.00 N ATOM 304 CA ASP A 25 12.203 35.359 -15.740 1.00 0.00 C ATOM 305 C ASP A 25 13.210 34.223 -15.585 1.00 0.00 C ATOM 306 O ASP A 25 13.240 33.292 -16.389 1.00 0.00 O ATOM 307 CB ASP A 25 10.984 34.872 -16.525 1.00 0.00 C ATOM 308 CG ASP A 25 11.194 34.944 -18.025 1.00 0.00 C ATOM 309 OD1 ASP A 25 12.273 34.526 -18.493 1.00 0.00 O ATOM 310 OD2 ASP A 25 10.278 35.417 -18.730 1.00 0.00 O ATOM 0 H ASP A 25 12.591 36.579 -17.401 1.00 0.00 H new ATOM 0 HA ASP A 25 11.884 35.676 -14.747 1.00 0.00 H new ATOM 0 HB2 ASP A 25 10.760 33.844 -16.241 1.00 0.00 H new ATOM 0 HB3 ASP A 25 10.117 35.474 -16.253 1.00 0.00 H new ATOM 315 N VAL A 26 14.033 34.307 -14.545 1.00 0.00 N ATOM 316 CA VAL A 26 15.042 33.287 -14.284 1.00 0.00 C ATOM 317 C VAL A 26 15.524 33.348 -12.839 1.00 0.00 C ATOM 318 O VAL A 26 16.006 34.383 -12.377 1.00 0.00 O ATOM 319 CB VAL A 26 16.252 33.440 -15.225 1.00 0.00 C ATOM 320 CG1 VAL A 26 16.935 34.780 -15.002 1.00 0.00 C ATOM 321 CG2 VAL A 26 17.231 32.293 -15.023 1.00 0.00 C ATOM 0 H VAL A 26 14.021 35.071 -13.869 1.00 0.00 H new ATOM 0 HA VAL A 26 14.570 32.321 -14.466 1.00 0.00 H new ATOM 0 HB VAL A 26 15.897 33.407 -16.255 1.00 0.00 H new ATOM 0 HG11 VAL A 26 17.787 34.870 -15.675 1.00 0.00 H new ATOM 0 HG12 VAL A 26 16.229 35.586 -15.201 1.00 0.00 H new ATOM 0 HG13 VAL A 26 17.279 34.846 -13.970 1.00 0.00 H new ATOM 0 HG21 VAL A 26 18.080 32.417 -15.695 1.00 0.00 H new ATOM 0 HG22 VAL A 26 17.583 32.292 -13.991 1.00 0.00 H new ATOM 0 HG23 VAL A 26 16.733 31.347 -15.237 1.00 0.00 H new ATOM 331 N LEU A 27 15.392 32.233 -12.129 1.00 0.00 N ATOM 332 CA LEU A 27 15.815 32.159 -10.735 1.00 0.00 C ATOM 333 C LEU A 27 16.479 30.818 -10.438 1.00 0.00 C ATOM 334 O LEU A 27 16.390 29.881 -11.232 1.00 0.00 O ATOM 335 CB LEU A 27 14.617 32.365 -9.806 1.00 0.00 C ATOM 336 CG LEU A 27 13.805 33.641 -10.032 1.00 0.00 C ATOM 337 CD1 LEU A 27 12.499 33.586 -9.255 1.00 0.00 C ATOM 338 CD2 LEU A 27 14.614 34.866 -9.633 1.00 0.00 C ATOM 0 H LEU A 27 14.995 31.368 -12.496 1.00 0.00 H new ATOM 0 HA LEU A 27 16.543 32.951 -10.559 1.00 0.00 H new ATOM 0 HB2 LEU A 27 13.949 31.510 -9.911 1.00 0.00 H new ATOM 0 HB3 LEU A 27 14.976 32.364 -8.777 1.00 0.00 H new ATOM 0 HG LEU A 27 13.570 33.716 -11.094 1.00 0.00 H new ATOM 0 HD11 LEU A 27 11.934 34.502 -9.428 1.00 0.00 H new ATOM 0 HD12 LEU A 27 11.913 32.730 -9.589 1.00 0.00 H new ATOM 0 HD13 LEU A 27 12.713 33.487 -8.191 1.00 0.00 H new ATOM 0 HD21 LEU A 27 14.020 35.765 -9.801 1.00 0.00 H new ATOM 0 HD22 LEU A 27 14.880 34.799 -8.578 1.00 0.00 H new ATOM 0 HD23 LEU A 27 15.522 34.914 -10.234 1.00 0.00 H new ATOM 350 N ASP A 28 17.141 30.733 -9.290 1.00 0.00 N ATOM 351 CA ASP A 28 17.816 29.505 -8.886 1.00 0.00 C ATOM 352 C ASP A 28 17.490 29.157 -7.437 1.00 0.00 C ATOM 353 O ASP A 28 17.751 29.942 -6.526 1.00 0.00 O ATOM 354 CB ASP A 28 19.329 29.649 -9.060 1.00 0.00 C ATOM 355 CG ASP A 28 19.832 31.017 -8.642 1.00 0.00 C ATOM 356 OD1 ASP A 28 19.666 31.976 -9.425 1.00 0.00 O ATOM 357 OD2 ASP A 28 20.392 31.128 -7.531 1.00 0.00 O ATOM 0 H ASP A 28 17.225 31.500 -8.622 1.00 0.00 H new ATOM 0 HA ASP A 28 17.459 28.697 -9.524 1.00 0.00 H new ATOM 0 HB2 ASP A 28 19.834 28.884 -8.471 1.00 0.00 H new ATOM 0 HB3 ASP A 28 19.590 29.472 -10.103 1.00 0.00 H new ATOM 362 N MET A 29 16.916 27.976 -7.232 1.00 0.00 N ATOM 363 CA MET A 29 16.554 27.524 -5.894 1.00 0.00 C ATOM 364 C MET A 29 16.147 26.054 -5.908 1.00 0.00 C ATOM 365 O MET A 29 15.678 25.524 -6.916 1.00 0.00 O ATOM 366 CB MET A 29 15.412 28.376 -5.336 1.00 0.00 C ATOM 367 CG MET A 29 14.044 27.980 -5.867 1.00 0.00 C ATOM 368 SD MET A 29 12.830 29.305 -5.713 1.00 0.00 S ATOM 369 CE MET A 29 12.340 29.118 -4.001 1.00 0.00 C ATOM 0 H MET A 29 16.692 27.315 -7.976 1.00 0.00 H new ATOM 0 HA MET A 29 17.428 27.635 -5.252 1.00 0.00 H new ATOM 0 HB2 MET A 29 15.408 28.297 -4.249 1.00 0.00 H new ATOM 0 HB3 MET A 29 15.598 29.422 -5.578 1.00 0.00 H new ATOM 0 HG2 MET A 29 14.134 27.695 -6.915 1.00 0.00 H new ATOM 0 HG3 MET A 29 13.689 27.102 -5.327 1.00 0.00 H new ATOM 0 HE1 MET A 29 11.590 29.869 -3.753 1.00 0.00 H new ATOM 0 HE2 MET A 29 11.921 28.123 -3.849 1.00 0.00 H new ATOM 0 HE3 MET A 29 13.210 29.247 -3.357 1.00 0.00 H new ATOM 379 N PRO A 30 16.330 25.377 -4.765 1.00 0.00 N ATOM 380 CA PRO A 30 15.988 23.959 -4.621 1.00 0.00 C ATOM 381 C PRO A 30 14.482 23.721 -4.635 1.00 0.00 C ATOM 382 O PRO A 30 13.716 24.494 -4.058 1.00 0.00 O ATOM 383 CB PRO A 30 16.575 23.589 -3.256 1.00 0.00 C ATOM 384 CG PRO A 30 16.619 24.873 -2.502 1.00 0.00 C ATOM 385 CD PRO A 30 16.884 25.944 -3.524 1.00 0.00 C ATOM 0 HA PRO A 30 16.378 23.361 -5.444 1.00 0.00 H new ATOM 0 HB2 PRO A 30 15.956 22.851 -2.746 1.00 0.00 H new ATOM 0 HB3 PRO A 30 17.570 23.155 -3.357 1.00 0.00 H new ATOM 0 HG2 PRO A 30 15.678 25.053 -1.983 1.00 0.00 H new ATOM 0 HG3 PRO A 30 17.402 24.854 -1.744 1.00 0.00 H new ATOM 0 HD2 PRO A 30 16.397 26.882 -3.258 1.00 0.00 H new ATOM 0 HD3 PRO A 30 17.949 26.154 -3.619 1.00 0.00 H new ATOM 393 N VAL A 31 14.063 22.648 -5.297 1.00 0.00 N ATOM 394 CA VAL A 31 12.648 22.308 -5.385 1.00 0.00 C ATOM 395 C VAL A 31 12.030 22.166 -3.999 1.00 0.00 C ATOM 396 O VAL A 31 12.721 22.275 -2.986 1.00 0.00 O ATOM 397 CB VAL A 31 12.433 20.999 -6.167 1.00 0.00 C ATOM 398 CG1 VAL A 31 13.041 21.101 -7.558 1.00 0.00 C ATOM 399 CG2 VAL A 31 13.019 19.820 -5.405 1.00 0.00 C ATOM 0 H VAL A 31 14.683 21.999 -5.781 1.00 0.00 H new ATOM 0 HA VAL A 31 12.159 23.124 -5.916 1.00 0.00 H new ATOM 0 HB VAL A 31 11.361 20.834 -6.277 1.00 0.00 H new ATOM 0 HG11 VAL A 31 12.879 20.167 -8.095 1.00 0.00 H new ATOM 0 HG12 VAL A 31 12.569 21.919 -8.102 1.00 0.00 H new ATOM 0 HG13 VAL A 31 14.111 21.291 -7.474 1.00 0.00 H new ATOM 0 HG21 VAL A 31 12.858 18.904 -5.973 1.00 0.00 H new ATOM 0 HG22 VAL A 31 14.088 19.975 -5.262 1.00 0.00 H new ATOM 0 HG23 VAL A 31 12.531 19.736 -4.434 1.00 0.00 H new ATOM 409 N ASP A 32 10.724 21.923 -3.961 1.00 0.00 N ATOM 410 CA ASP A 32 10.012 21.764 -2.699 1.00 0.00 C ATOM 411 C ASP A 32 9.087 20.552 -2.745 1.00 0.00 C ATOM 412 O ASP A 32 8.666 20.102 -3.811 1.00 0.00 O ATOM 413 CB ASP A 32 9.206 23.025 -2.382 1.00 0.00 C ATOM 414 CG ASP A 32 9.798 24.266 -3.018 1.00 0.00 C ATOM 415 OD1 ASP A 32 9.626 24.446 -4.242 1.00 0.00 O ATOM 416 OD2 ASP A 32 10.433 25.059 -2.292 1.00 0.00 O ATOM 0 H ASP A 32 10.137 21.832 -4.790 1.00 0.00 H new ATOM 0 HA ASP A 32 10.749 21.605 -1.912 1.00 0.00 H new ATOM 0 HB2 ASP A 32 8.182 22.895 -2.731 1.00 0.00 H new ATOM 0 HB3 ASP A 32 9.160 23.161 -1.301 1.00 0.00 H new ATOM 421 N PRO A 33 8.763 20.009 -1.562 1.00 0.00 N ATOM 422 CA PRO A 33 7.885 18.841 -1.441 1.00 0.00 C ATOM 423 C PRO A 33 6.439 19.164 -1.800 1.00 0.00 C ATOM 424 O PRO A 33 5.559 18.309 -1.701 1.00 0.00 O ATOM 425 CB PRO A 33 7.998 18.464 0.038 1.00 0.00 C ATOM 426 CG PRO A 33 8.374 19.732 0.724 1.00 0.00 C ATOM 427 CD PRO A 33 9.228 20.493 -0.252 1.00 0.00 C ATOM 0 HA PRO A 33 8.175 18.041 -2.122 1.00 0.00 H new ATOM 0 HB2 PRO A 33 7.055 18.072 0.420 1.00 0.00 H new ATOM 0 HB3 PRO A 33 8.751 17.691 0.193 1.00 0.00 H new ATOM 0 HG2 PRO A 33 7.488 20.305 0.997 1.00 0.00 H new ATOM 0 HG3 PRO A 33 8.920 19.530 1.646 1.00 0.00 H new ATOM 0 HD2 PRO A 33 9.092 21.570 -0.150 1.00 0.00 H new ATOM 0 HD3 PRO A 33 10.288 20.290 -0.102 1.00 0.00 H new ATOM 435 N ASN A 34 6.200 20.402 -2.218 1.00 0.00 N ATOM 436 CA ASN A 34 4.859 20.837 -2.592 1.00 0.00 C ATOM 437 C ASN A 34 4.389 20.126 -3.857 1.00 0.00 C ATOM 438 O ASN A 34 3.254 19.657 -3.931 1.00 0.00 O ATOM 439 CB ASN A 34 4.832 22.352 -2.806 1.00 0.00 C ATOM 440 CG ASN A 34 5.326 22.750 -4.183 1.00 0.00 C ATOM 441 OD1 ASN A 34 6.531 22.797 -4.434 1.00 0.00 O ATOM 442 ND2 ASN A 34 4.395 23.040 -5.084 1.00 0.00 N ATOM 0 H ASN A 34 6.917 21.122 -2.306 1.00 0.00 H new ATOM 0 HA ASN A 34 4.181 20.579 -1.778 1.00 0.00 H new ATOM 0 HB2 ASN A 34 3.814 22.718 -2.668 1.00 0.00 H new ATOM 0 HB3 ASN A 34 5.449 22.834 -2.048 1.00 0.00 H new ATOM 0 HD21 ASN A 34 4.667 23.315 -6.028 1.00 0.00 H new ATOM 0 HD22 ASN A 34 3.408 22.988 -4.832 1.00 0.00 H new ATOM 449 N GLU A 35 5.271 20.050 -4.849 1.00 0.00 N ATOM 450 CA GLU A 35 4.945 19.396 -6.111 1.00 0.00 C ATOM 451 C GLU A 35 4.088 18.155 -5.876 1.00 0.00 C ATOM 452 O GLU A 35 4.103 17.554 -4.802 1.00 0.00 O ATOM 453 CB GLU A 35 6.225 19.011 -6.856 1.00 0.00 C ATOM 454 CG GLU A 35 6.854 20.163 -7.621 1.00 0.00 C ATOM 455 CD GLU A 35 6.222 20.373 -8.983 1.00 0.00 C ATOM 456 OE1 GLU A 35 6.656 19.707 -9.947 1.00 0.00 O ATOM 457 OE2 GLU A 35 5.294 21.203 -9.086 1.00 0.00 O ATOM 0 H GLU A 35 6.215 20.433 -4.803 1.00 0.00 H new ATOM 0 HA GLU A 35 4.376 20.099 -6.719 1.00 0.00 H new ATOM 0 HB2 GLU A 35 6.949 18.623 -6.140 1.00 0.00 H new ATOM 0 HB3 GLU A 35 6.001 18.203 -7.552 1.00 0.00 H new ATOM 0 HG2 GLU A 35 6.759 21.078 -7.036 1.00 0.00 H new ATOM 0 HG3 GLU A 35 7.920 19.973 -7.745 1.00 0.00 H new ATOM 464 N PRO A 36 3.321 17.763 -6.904 1.00 0.00 N ATOM 465 CA PRO A 36 2.442 16.592 -6.834 1.00 0.00 C ATOM 466 C PRO A 36 3.223 15.283 -6.791 1.00 0.00 C ATOM 467 O PRO A 36 4.395 15.234 -7.168 1.00 0.00 O ATOM 468 CB PRO A 36 1.625 16.684 -8.125 1.00 0.00 C ATOM 469 CG PRO A 36 2.485 17.458 -9.063 1.00 0.00 C ATOM 470 CD PRO A 36 3.252 18.433 -8.213 1.00 0.00 C ATOM 0 HA PRO A 36 1.835 16.591 -5.928 1.00 0.00 H new ATOM 0 HB2 PRO A 36 1.398 15.694 -8.521 1.00 0.00 H new ATOM 0 HB3 PRO A 36 0.672 17.186 -7.956 1.00 0.00 H new ATOM 0 HG2 PRO A 36 3.161 16.798 -9.607 1.00 0.00 H new ATOM 0 HG3 PRO A 36 1.881 17.979 -9.806 1.00 0.00 H new ATOM 0 HD2 PRO A 36 4.245 18.625 -8.619 1.00 0.00 H new ATOM 0 HD3 PRO A 36 2.743 19.395 -8.146 1.00 0.00 H new ATOM 478 N THR A 37 2.568 14.223 -6.328 1.00 0.00 N ATOM 479 CA THR A 37 3.201 12.914 -6.234 1.00 0.00 C ATOM 480 C THR A 37 2.387 11.855 -6.970 1.00 0.00 C ATOM 481 O THR A 37 1.175 11.748 -6.780 1.00 0.00 O ATOM 482 CB THR A 37 3.380 12.480 -4.767 1.00 0.00 C ATOM 483 OG1 THR A 37 2.102 12.243 -4.167 1.00 0.00 O ATOM 484 CG2 THR A 37 4.129 13.542 -3.977 1.00 0.00 C ATOM 0 H THR A 37 1.598 14.246 -6.012 1.00 0.00 H new ATOM 0 HA THR A 37 4.182 13.004 -6.701 1.00 0.00 H new ATOM 0 HB THR A 37 3.964 11.560 -4.751 1.00 0.00 H new ATOM 0 HG1 THR A 37 1.474 11.925 -4.849 1.00 0.00 H new ATOM 0 HG21 THR A 37 4.244 13.214 -2.944 1.00 0.00 H new ATOM 0 HG22 THR A 37 5.113 13.698 -4.419 1.00 0.00 H new ATOM 0 HG23 THR A 37 3.568 14.476 -4.001 1.00 0.00 H new ATOM 492 N TYR A 38 3.059 11.075 -7.808 1.00 0.00 N ATOM 493 CA TYR A 38 2.397 10.026 -8.574 1.00 0.00 C ATOM 494 C TYR A 38 2.906 8.648 -8.162 1.00 0.00 C ATOM 495 O TYR A 38 2.123 7.760 -7.820 1.00 0.00 O ATOM 496 CB TYR A 38 2.623 10.238 -10.072 1.00 0.00 C ATOM 497 CG TYR A 38 1.964 11.487 -10.612 1.00 0.00 C ATOM 498 CD1 TYR A 38 2.581 12.727 -10.498 1.00 0.00 C ATOM 499 CD2 TYR A 38 0.725 11.427 -11.238 1.00 0.00 C ATOM 500 CE1 TYR A 38 1.982 13.870 -10.989 1.00 0.00 C ATOM 501 CE2 TYR A 38 0.120 12.566 -11.734 1.00 0.00 C ATOM 502 CZ TYR A 38 0.752 13.785 -11.607 1.00 0.00 C ATOM 503 OH TYR A 38 0.153 14.922 -12.099 1.00 0.00 O ATOM 0 H TYR A 38 4.063 11.149 -7.975 1.00 0.00 H new ATOM 0 HA TYR A 38 1.329 10.077 -8.364 1.00 0.00 H new ATOM 0 HB2 TYR A 38 3.694 10.290 -10.266 1.00 0.00 H new ATOM 0 HB3 TYR A 38 2.242 9.373 -10.615 1.00 0.00 H new ATOM 0 HD1 TYR A 38 3.545 12.798 -10.017 1.00 0.00 H new ATOM 0 HD2 TYR A 38 0.226 10.474 -11.339 1.00 0.00 H new ATOM 0 HE1 TYR A 38 2.474 14.826 -10.890 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -0.843 12.502 -12.219 1.00 0.00 H new ATOM 0 HH TYR A 38 -0.708 14.689 -12.505 1.00 0.00 H new ATOM 513 N CYS A 39 4.223 8.476 -8.195 1.00 0.00 N ATOM 514 CA CYS A 39 4.839 7.207 -7.826 1.00 0.00 C ATOM 515 C CYS A 39 4.137 6.593 -6.618 1.00 0.00 C ATOM 516 O CYS A 39 3.443 7.284 -5.871 1.00 0.00 O ATOM 517 CB CYS A 39 6.324 7.408 -7.518 1.00 0.00 C ATOM 518 SG CYS A 39 7.257 5.857 -7.311 1.00 0.00 S ATOM 0 H CYS A 39 4.885 9.200 -8.474 1.00 0.00 H new ATOM 0 HA CYS A 39 4.738 6.524 -8.669 1.00 0.00 H new ATOM 0 HB2 CYS A 39 6.776 7.987 -8.324 1.00 0.00 H new ATOM 0 HB3 CYS A 39 6.418 8.001 -6.608 1.00 0.00 H new ATOM 523 N LEU A 40 4.322 5.291 -6.433 1.00 0.00 N ATOM 524 CA LEU A 40 3.707 4.582 -5.316 1.00 0.00 C ATOM 525 C LEU A 40 4.119 5.201 -3.985 1.00 0.00 C ATOM 526 O LEU A 40 3.280 5.455 -3.120 1.00 0.00 O ATOM 527 CB LEU A 40 4.098 3.103 -5.347 1.00 0.00 C ATOM 528 CG LEU A 40 3.955 2.399 -6.697 1.00 0.00 C ATOM 529 CD1 LEU A 40 5.017 1.322 -6.853 1.00 0.00 C ATOM 530 CD2 LEU A 40 2.563 1.802 -6.841 1.00 0.00 C ATOM 0 H LEU A 40 4.893 4.704 -7.042 1.00 0.00 H new ATOM 0 HA LEU A 40 2.625 4.667 -5.416 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.135 3.015 -5.022 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.489 2.571 -4.616 1.00 0.00 H new ATOM 0 HG LEU A 40 4.097 3.137 -7.487 1.00 0.00 H new ATOM 0 HD11 LEU A 40 4.899 0.832 -7.820 1.00 0.00 H new ATOM 0 HD12 LEU A 40 6.006 1.775 -6.794 1.00 0.00 H new ATOM 0 HD13 LEU A 40 4.908 0.585 -6.057 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.478 1.305 -7.807 1.00 0.00 H new ATOM 0 HD22 LEU A 40 2.394 1.078 -6.044 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.818 2.595 -6.775 1.00 0.00 H new ATOM 542 N CYS A 41 5.416 5.443 -3.827 1.00 0.00 N ATOM 543 CA CYS A 41 5.941 6.034 -2.603 1.00 0.00 C ATOM 544 C CYS A 41 5.336 7.415 -2.363 1.00 0.00 C ATOM 545 O CYS A 41 5.502 8.000 -1.291 1.00 0.00 O ATOM 546 CB CYS A 41 7.466 6.139 -2.674 1.00 0.00 C ATOM 547 SG CYS A 41 8.071 7.370 -3.873 1.00 0.00 S ATOM 0 H CYS A 41 6.123 5.238 -4.533 1.00 0.00 H new ATOM 0 HA CYS A 41 5.667 5.386 -1.770 1.00 0.00 H new ATOM 0 HB2 CYS A 41 7.849 6.392 -1.685 1.00 0.00 H new ATOM 0 HB3 CYS A 41 7.875 5.163 -2.934 1.00 0.00 H new ATOM 552 N HIS A 42 4.635 7.930 -3.367 1.00 0.00 N ATOM 553 CA HIS A 42 4.004 9.242 -3.265 1.00 0.00 C ATOM 554 C HIS A 42 5.053 10.336 -3.091 1.00 0.00 C ATOM 555 O HIS A 42 4.996 11.116 -2.140 1.00 0.00 O ATOM 556 CB HIS A 42 3.021 9.269 -2.094 1.00 0.00 C ATOM 557 CG HIS A 42 1.715 8.600 -2.393 1.00 0.00 C ATOM 558 ND1 HIS A 42 0.681 9.229 -3.054 1.00 0.00 N ATOM 559 CD2 HIS A 42 1.278 7.349 -2.119 1.00 0.00 C ATOM 560 CE1 HIS A 42 -0.336 8.394 -3.172 1.00 0.00 C ATOM 561 NE2 HIS A 42 0.001 7.246 -2.612 1.00 0.00 N ATOM 0 H HIS A 42 4.489 7.460 -4.260 1.00 0.00 H new ATOM 0 HA HIS A 42 3.459 9.430 -4.190 1.00 0.00 H new ATOM 0 HB2 HIS A 42 3.480 8.783 -1.233 1.00 0.00 H new ATOM 0 HB3 HIS A 42 2.833 10.305 -1.812 1.00 0.00 H new ATOM 0 HD2 HIS A 42 1.831 6.575 -1.607 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -1.282 8.613 -3.646 1.00 0.00 H new ATOM 0 HE2 HIS A 42 -0.591 6.418 -2.555 1.00 0.00 H new ATOM 570 N GLN A 43 6.008 10.387 -4.013 1.00 0.00 N ATOM 571 CA GLN A 43 7.069 11.385 -3.960 1.00 0.00 C ATOM 572 C GLN A 43 6.965 12.354 -5.133 1.00 0.00 C ATOM 573 O GLN A 43 6.276 12.083 -6.116 1.00 0.00 O ATOM 574 CB GLN A 43 8.439 10.705 -3.965 1.00 0.00 C ATOM 575 CG GLN A 43 8.926 10.307 -2.580 1.00 0.00 C ATOM 576 CD GLN A 43 8.681 11.386 -1.544 1.00 0.00 C ATOM 577 OE1 GLN A 43 9.376 12.402 -1.512 1.00 0.00 O ATOM 578 NE2 GLN A 43 7.689 11.170 -0.688 1.00 0.00 N ATOM 0 H GLN A 43 6.069 9.749 -4.806 1.00 0.00 H new ATOM 0 HA GLN A 43 6.955 11.950 -3.035 1.00 0.00 H new ATOM 0 HB2 GLN A 43 8.392 9.816 -4.594 1.00 0.00 H new ATOM 0 HB3 GLN A 43 9.168 11.377 -4.418 1.00 0.00 H new ATOM 0 HG2 GLN A 43 8.423 9.391 -2.271 1.00 0.00 H new ATOM 0 HG3 GLN A 43 9.992 10.086 -2.624 1.00 0.00 H new ATOM 0 HE21 GLN A 43 7.138 10.314 -0.751 1.00 0.00 H new ATOM 0 HE22 GLN A 43 7.478 11.860 0.032 1.00 0.00 H new ATOM 587 N VAL A 44 7.654 13.486 -5.022 1.00 0.00 N ATOM 588 CA VAL A 44 7.640 14.495 -6.074 1.00 0.00 C ATOM 589 C VAL A 44 8.508 14.072 -7.254 1.00 0.00 C ATOM 590 O VAL A 44 9.698 13.799 -7.096 1.00 0.00 O ATOM 591 CB VAL A 44 8.132 15.858 -5.551 1.00 0.00 C ATOM 592 CG1 VAL A 44 7.244 16.348 -4.418 1.00 0.00 C ATOM 593 CG2 VAL A 44 9.582 15.763 -5.100 1.00 0.00 C ATOM 0 H VAL A 44 8.228 13.727 -4.214 1.00 0.00 H new ATOM 0 HA VAL A 44 6.606 14.593 -6.405 1.00 0.00 H new ATOM 0 HB VAL A 44 8.074 16.582 -6.364 1.00 0.00 H new ATOM 0 HG11 VAL A 44 7.607 17.312 -4.062 1.00 0.00 H new ATOM 0 HG12 VAL A 44 6.221 16.456 -4.778 1.00 0.00 H new ATOM 0 HG13 VAL A 44 7.266 15.627 -3.601 1.00 0.00 H new ATOM 0 HG21 VAL A 44 9.913 16.735 -4.734 1.00 0.00 H new ATOM 0 HG22 VAL A 44 9.667 15.026 -4.302 1.00 0.00 H new ATOM 0 HG23 VAL A 44 10.206 15.461 -5.941 1.00 0.00 H new ATOM 603 N SER A 45 7.905 14.020 -8.437 1.00 0.00 N ATOM 604 CA SER A 45 8.622 13.627 -9.644 1.00 0.00 C ATOM 605 C SER A 45 9.821 14.539 -9.886 1.00 0.00 C ATOM 606 O SER A 45 9.683 15.762 -9.943 1.00 0.00 O ATOM 607 CB SER A 45 7.686 13.664 -10.854 1.00 0.00 C ATOM 608 OG SER A 45 8.418 13.628 -12.067 1.00 0.00 O ATOM 0 H SER A 45 6.921 14.245 -8.585 1.00 0.00 H new ATOM 0 HA SER A 45 8.985 12.609 -9.505 1.00 0.00 H new ATOM 0 HB2 SER A 45 7.001 12.817 -10.814 1.00 0.00 H new ATOM 0 HB3 SER A 45 7.078 14.568 -10.820 1.00 0.00 H new ATOM 0 HG SER A 45 8.215 12.798 -12.547 1.00 0.00 H new ATOM 614 N TYR A 46 10.996 13.937 -10.026 1.00 0.00 N ATOM 615 CA TYR A 46 12.220 14.694 -10.259 1.00 0.00 C ATOM 616 C TYR A 46 12.655 14.592 -11.718 1.00 0.00 C ATOM 617 O TYR A 46 13.601 15.253 -12.143 1.00 0.00 O ATOM 618 CB TYR A 46 13.338 14.188 -9.346 1.00 0.00 C ATOM 619 CG TYR A 46 13.120 12.779 -8.844 1.00 0.00 C ATOM 620 CD1 TYR A 46 13.363 11.683 -9.664 1.00 0.00 C ATOM 621 CD2 TYR A 46 12.671 12.542 -7.551 1.00 0.00 C ATOM 622 CE1 TYR A 46 13.164 10.394 -9.210 1.00 0.00 C ATOM 623 CE2 TYR A 46 12.471 11.256 -7.088 1.00 0.00 C ATOM 624 CZ TYR A 46 12.719 10.185 -7.922 1.00 0.00 C ATOM 625 OH TYR A 46 12.520 8.902 -7.465 1.00 0.00 O ATOM 0 H TYR A 46 11.127 12.926 -9.982 1.00 0.00 H new ATOM 0 HA TYR A 46 12.019 15.741 -10.031 1.00 0.00 H new ATOM 0 HB2 TYR A 46 14.284 14.230 -9.887 1.00 0.00 H new ATOM 0 HB3 TYR A 46 13.429 14.859 -8.492 1.00 0.00 H new ATOM 0 HD1 TYR A 46 13.713 11.842 -10.673 1.00 0.00 H new ATOM 0 HD2 TYR A 46 12.475 13.378 -6.896 1.00 0.00 H new ATOM 0 HE1 TYR A 46 13.356 9.554 -9.861 1.00 0.00 H new ATOM 0 HE2 TYR A 46 12.123 11.090 -6.079 1.00 0.00 H new ATOM 0 HH TYR A 46 11.772 8.893 -6.832 1.00 0.00 H new ATOM 635 N GLY A 47 11.954 13.758 -12.480 1.00 0.00 N ATOM 636 CA GLY A 47 12.280 13.584 -13.884 1.00 0.00 C ATOM 637 C GLY A 47 12.328 12.125 -14.291 1.00 0.00 C ATOM 638 O GLY A 47 11.355 11.590 -14.822 1.00 0.00 O ATOM 0 H GLY A 47 11.166 13.200 -12.151 1.00 0.00 H new ATOM 0 HA2 GLY A 47 11.540 14.104 -14.493 1.00 0.00 H new ATOM 0 HA3 GLY A 47 13.245 14.048 -14.090 1.00 0.00 H new ATOM 642 N GLU A 48 13.463 11.479 -14.043 1.00 0.00 N ATOM 643 CA GLU A 48 13.634 10.073 -14.391 1.00 0.00 C ATOM 644 C GLU A 48 12.368 9.279 -14.082 1.00 0.00 C ATOM 645 O GLU A 48 12.197 8.771 -12.974 1.00 0.00 O ATOM 646 CB GLU A 48 14.821 9.477 -13.632 1.00 0.00 C ATOM 647 CG GLU A 48 14.780 9.738 -12.136 1.00 0.00 C ATOM 648 CD GLU A 48 15.595 10.952 -11.733 1.00 0.00 C ATOM 649 OE1 GLU A 48 15.272 12.065 -12.198 1.00 0.00 O ATOM 650 OE2 GLU A 48 16.556 10.788 -10.952 1.00 0.00 O ATOM 0 H GLU A 48 14.278 11.907 -13.603 1.00 0.00 H new ATOM 0 HA GLU A 48 13.829 10.011 -15.462 1.00 0.00 H new ATOM 0 HB2 GLU A 48 14.848 8.401 -13.804 1.00 0.00 H new ATOM 0 HB3 GLU A 48 15.745 9.888 -14.039 1.00 0.00 H new ATOM 0 HG2 GLU A 48 13.745 9.880 -11.824 1.00 0.00 H new ATOM 0 HG3 GLU A 48 15.155 8.862 -11.608 1.00 0.00 H new ATOM 657 N MET A 49 11.484 9.177 -15.069 1.00 0.00 N ATOM 658 CA MET A 49 10.234 8.445 -14.903 1.00 0.00 C ATOM 659 C MET A 49 10.018 7.470 -16.055 1.00 0.00 C ATOM 660 O MET A 49 10.524 7.677 -17.159 1.00 0.00 O ATOM 661 CB MET A 49 9.056 9.417 -14.814 1.00 0.00 C ATOM 662 CG MET A 49 8.997 10.182 -13.502 1.00 0.00 C ATOM 663 SD MET A 49 7.337 10.772 -13.116 1.00 0.00 S ATOM 664 CE MET A 49 6.841 9.593 -11.863 1.00 0.00 C ATOM 0 H MET A 49 11.610 9.592 -15.992 1.00 0.00 H new ATOM 0 HA MET A 49 10.296 7.876 -13.976 1.00 0.00 H new ATOM 0 HB2 MET A 49 9.120 10.128 -15.637 1.00 0.00 H new ATOM 0 HB3 MET A 49 8.127 8.862 -14.944 1.00 0.00 H new ATOM 0 HG2 MET A 49 9.347 9.538 -12.695 1.00 0.00 H new ATOM 0 HG3 MET A 49 9.678 11.031 -13.550 1.00 0.00 H new ATOM 0 HE1 MET A 49 5.963 9.968 -11.337 1.00 0.00 H new ATOM 0 HE2 MET A 49 6.602 8.640 -12.335 1.00 0.00 H new ATOM 0 HE3 MET A 49 7.656 9.452 -11.153 1.00 0.00 H new ATOM 674 N ILE A 50 9.265 6.407 -15.792 1.00 0.00 N ATOM 675 CA ILE A 50 8.982 5.401 -16.809 1.00 0.00 C ATOM 676 C ILE A 50 7.487 5.319 -17.100 1.00 0.00 C ATOM 677 O ILE A 50 7.077 5.079 -18.235 1.00 0.00 O ATOM 678 CB ILE A 50 9.487 4.011 -16.381 1.00 0.00 C ATOM 679 CG1 ILE A 50 8.751 3.541 -15.125 1.00 0.00 C ATOM 680 CG2 ILE A 50 10.989 4.045 -16.139 1.00 0.00 C ATOM 681 CD1 ILE A 50 9.183 4.260 -13.866 1.00 0.00 C ATOM 0 H ILE A 50 8.840 6.220 -14.884 1.00 0.00 H new ATOM 0 HA ILE A 50 9.509 5.708 -17.712 1.00 0.00 H new ATOM 0 HB ILE A 50 9.283 3.304 -17.185 1.00 0.00 H new ATOM 0 HG12 ILE A 50 7.680 3.685 -15.266 1.00 0.00 H new ATOM 0 HG13 ILE A 50 8.915 2.471 -14.997 1.00 0.00 H new ATOM 0 HG21 ILE A 50 11.331 3.055 -15.837 1.00 0.00 H new ATOM 0 HG22 ILE A 50 11.499 4.341 -17.056 1.00 0.00 H new ATOM 0 HG23 ILE A 50 11.214 4.763 -15.350 1.00 0.00 H new ATOM 0 HD11 ILE A 50 8.620 3.875 -13.016 1.00 0.00 H new ATOM 0 HD12 ILE A 50 10.248 4.095 -13.700 1.00 0.00 H new ATOM 0 HD13 ILE A 50 8.994 5.328 -13.974 1.00 0.00 H new ATOM 693 N GLY A 51 6.676 5.522 -16.066 1.00 0.00 N ATOM 694 CA GLY A 51 5.235 5.468 -16.231 1.00 0.00 C ATOM 695 C GLY A 51 4.759 4.119 -16.733 1.00 0.00 C ATOM 696 O GLY A 51 5.554 3.312 -17.217 1.00 0.00 O ATOM 0 H GLY A 51 6.991 5.723 -15.117 1.00 0.00 H new ATOM 0 HA2 GLY A 51 4.755 5.687 -15.277 1.00 0.00 H new ATOM 0 HA3 GLY A 51 4.923 6.243 -16.931 1.00 0.00 H new ATOM 700 N CYS A 52 3.459 3.872 -16.616 1.00 0.00 N ATOM 701 CA CYS A 52 2.877 2.610 -17.059 1.00 0.00 C ATOM 702 C CYS A 52 2.370 2.719 -18.494 1.00 0.00 C ATOM 703 O CYS A 52 1.707 3.691 -18.857 1.00 0.00 O ATOM 704 CB CYS A 52 1.732 2.199 -16.132 1.00 0.00 C ATOM 705 SG CYS A 52 1.059 0.541 -16.471 1.00 0.00 S ATOM 0 H CYS A 52 2.788 4.529 -16.218 1.00 0.00 H new ATOM 0 HA CYS A 52 3.655 1.848 -17.024 1.00 0.00 H new ATOM 0 HB2 CYS A 52 2.084 2.233 -15.101 1.00 0.00 H new ATOM 0 HB3 CYS A 52 0.928 2.930 -16.219 1.00 0.00 H new ATOM 710 N ASP A 53 2.687 1.716 -19.305 1.00 0.00 N ATOM 711 CA ASP A 53 2.263 1.697 -20.700 1.00 0.00 C ATOM 712 C ASP A 53 0.742 1.763 -20.807 1.00 0.00 C ATOM 713 O ASP A 53 0.200 2.214 -21.815 1.00 0.00 O ATOM 714 CB ASP A 53 2.782 0.438 -21.397 1.00 0.00 C ATOM 715 CG ASP A 53 2.150 0.228 -22.758 1.00 0.00 C ATOM 716 OD1 ASP A 53 0.994 -0.242 -22.810 1.00 0.00 O ATOM 717 OD2 ASP A 53 2.811 0.534 -23.772 1.00 0.00 O ATOM 0 H ASP A 53 3.236 0.905 -19.020 1.00 0.00 H new ATOM 0 HA ASP A 53 2.682 2.574 -21.193 1.00 0.00 H new ATOM 0 HB2 ASP A 53 3.864 0.508 -21.509 1.00 0.00 H new ATOM 0 HB3 ASP A 53 2.582 -0.430 -20.769 1.00 0.00 H new ATOM 722 N ASN A 54 0.061 1.308 -19.761 1.00 0.00 N ATOM 723 CA ASN A 54 -1.397 1.313 -19.737 1.00 0.00 C ATOM 724 C ASN A 54 -1.934 2.733 -19.582 1.00 0.00 C ATOM 725 O ASN A 54 -1.693 3.408 -18.581 1.00 0.00 O ATOM 726 CB ASN A 54 -1.913 0.433 -18.597 1.00 0.00 C ATOM 727 CG ASN A 54 -3.418 0.527 -18.429 1.00 0.00 C ATOM 728 OD1 ASN A 54 -4.138 0.865 -19.369 1.00 0.00 O ATOM 729 ND2 ASN A 54 -3.899 0.228 -17.228 1.00 0.00 N ATOM 0 H ASN A 54 0.495 0.931 -18.919 1.00 0.00 H new ATOM 0 HA ASN A 54 -1.752 0.911 -20.686 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -1.636 -0.604 -18.788 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -1.427 0.727 -17.666 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -4.903 0.274 -17.055 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -3.264 -0.047 -16.478 1.00 0.00 H new ATOM 736 N PRO A 55 -2.680 3.198 -20.595 1.00 0.00 N ATOM 737 CA PRO A 55 -3.267 4.541 -20.594 1.00 0.00 C ATOM 738 C PRO A 55 -4.391 4.682 -19.573 1.00 0.00 C ATOM 739 O PRO A 55 -4.807 5.792 -19.243 1.00 0.00 O ATOM 740 CB PRO A 55 -3.815 4.689 -22.016 1.00 0.00 C ATOM 741 CG PRO A 55 -4.065 3.294 -22.473 1.00 0.00 C ATOM 742 CD PRO A 55 -3.008 2.448 -21.819 1.00 0.00 C ATOM 0 HA PRO A 55 -2.538 5.304 -20.321 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -4.731 5.279 -22.028 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -3.101 5.196 -22.665 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -5.063 2.962 -22.186 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -4.005 3.223 -23.559 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -3.378 1.448 -21.591 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -2.136 2.326 -22.462 1.00 0.00 H new ATOM 750 N ASP A 56 -4.878 3.550 -19.076 1.00 0.00 N ATOM 751 CA ASP A 56 -5.953 3.547 -18.091 1.00 0.00 C ATOM 752 C ASP A 56 -5.394 3.672 -16.677 1.00 0.00 C ATOM 753 O ASP A 56 -6.026 4.257 -15.797 1.00 0.00 O ATOM 754 CB ASP A 56 -6.783 2.268 -18.214 1.00 0.00 C ATOM 755 CG ASP A 56 -7.473 2.153 -19.559 1.00 0.00 C ATOM 756 OD1 ASP A 56 -8.277 3.048 -19.892 1.00 0.00 O ATOM 757 OD2 ASP A 56 -7.207 1.168 -20.279 1.00 0.00 O ATOM 0 H ASP A 56 -4.545 2.623 -19.339 1.00 0.00 H new ATOM 0 HA ASP A 56 -6.594 4.407 -18.286 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -6.137 1.403 -18.065 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -7.531 2.246 -17.422 1.00 0.00 H new ATOM 762 N CYS A 57 -4.206 3.116 -16.465 1.00 0.00 N ATOM 763 CA CYS A 57 -3.562 3.163 -15.158 1.00 0.00 C ATOM 764 C CYS A 57 -3.639 4.566 -14.563 1.00 0.00 C ATOM 765 O CYS A 57 -3.128 5.526 -15.142 1.00 0.00 O ATOM 766 CB CYS A 57 -2.100 2.724 -15.270 1.00 0.00 C ATOM 767 SG CYS A 57 -1.401 2.065 -13.723 1.00 0.00 S ATOM 0 H CYS A 57 -3.670 2.627 -17.182 1.00 0.00 H new ATOM 0 HA CYS A 57 -4.091 2.477 -14.496 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -2.019 1.963 -16.046 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -1.500 3.575 -15.594 1.00 0.00 H new ATOM 772 N SER A 58 -4.280 4.678 -13.404 1.00 0.00 N ATOM 773 CA SER A 58 -4.427 5.964 -12.733 1.00 0.00 C ATOM 774 C SER A 58 -3.066 6.611 -12.493 1.00 0.00 C ATOM 775 O SER A 58 -2.837 7.759 -12.873 1.00 0.00 O ATOM 776 CB SER A 58 -5.162 5.787 -11.402 1.00 0.00 C ATOM 777 OG SER A 58 -5.411 7.039 -10.788 1.00 0.00 O ATOM 0 H SER A 58 -4.706 3.894 -12.910 1.00 0.00 H new ATOM 0 HA SER A 58 -5.012 6.618 -13.379 1.00 0.00 H new ATOM 0 HB2 SER A 58 -6.105 5.267 -11.570 1.00 0.00 H new ATOM 0 HB3 SER A 58 -4.568 5.163 -10.735 1.00 0.00 H new ATOM 0 HG SER A 58 -5.883 6.900 -9.940 1.00 0.00 H new ATOM 783 N ILE A 59 -2.167 5.865 -11.861 1.00 0.00 N ATOM 784 CA ILE A 59 -0.828 6.364 -11.571 1.00 0.00 C ATOM 785 C ILE A 59 -0.032 6.576 -12.854 1.00 0.00 C ATOM 786 O ILE A 59 0.327 7.703 -13.194 1.00 0.00 O ATOM 787 CB ILE A 59 -0.054 5.400 -10.653 1.00 0.00 C ATOM 788 CG1 ILE A 59 -0.802 5.208 -9.332 1.00 0.00 C ATOM 789 CG2 ILE A 59 1.352 5.923 -10.401 1.00 0.00 C ATOM 790 CD1 ILE A 59 -0.272 4.063 -8.498 1.00 0.00 C ATOM 0 H ILE A 59 -2.341 4.913 -11.540 1.00 0.00 H new ATOM 0 HA ILE A 59 -0.951 7.319 -11.060 1.00 0.00 H new ATOM 0 HB ILE A 59 0.023 4.432 -11.149 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -0.740 6.129 -8.752 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -1.857 5.035 -9.543 1.00 0.00 H new ATOM 0 HG21 ILE A 59 1.887 5.231 -9.750 1.00 0.00 H new ATOM 0 HG22 ILE A 59 1.882 6.013 -11.349 1.00 0.00 H new ATOM 0 HG23 ILE A 59 1.296 6.901 -9.923 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -0.849 3.986 -7.577 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -0.359 3.133 -9.060 1.00 0.00 H new ATOM 0 HD13 ILE A 59 0.775 4.244 -8.256 1.00 0.00 H new ATOM 802 N GLU A 60 0.240 5.485 -13.563 1.00 0.00 N ATOM 803 CA GLU A 60 0.994 5.553 -14.809 1.00 0.00 C ATOM 804 C GLU A 60 2.189 6.493 -14.672 1.00 0.00 C ATOM 805 O GLU A 60 2.534 7.214 -15.608 1.00 0.00 O ATOM 806 CB GLU A 60 0.091 6.021 -15.952 1.00 0.00 C ATOM 807 CG GLU A 60 -0.347 7.471 -15.827 1.00 0.00 C ATOM 808 CD GLU A 60 -0.884 8.032 -17.129 1.00 0.00 C ATOM 809 OE1 GLU A 60 -1.369 7.237 -17.962 1.00 0.00 O ATOM 810 OE2 GLU A 60 -0.820 9.265 -17.315 1.00 0.00 O ATOM 0 H GLU A 60 -0.050 4.544 -13.296 1.00 0.00 H new ATOM 0 HA GLU A 60 1.365 4.553 -15.034 1.00 0.00 H new ATOM 0 HB2 GLU A 60 0.618 5.890 -16.897 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -0.793 5.385 -15.989 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -1.115 7.550 -15.058 1.00 0.00 H new ATOM 0 HG3 GLU A 60 0.498 8.075 -15.497 1.00 0.00 H new ATOM 817 N TRP A 61 2.814 6.478 -13.501 1.00 0.00 N ATOM 818 CA TRP A 61 3.969 7.329 -13.240 1.00 0.00 C ATOM 819 C TRP A 61 4.720 6.863 -11.998 1.00 0.00 C ATOM 820 O TRP A 61 4.185 6.893 -10.889 1.00 0.00 O ATOM 821 CB TRP A 61 3.529 8.784 -13.069 1.00 0.00 C ATOM 822 CG TRP A 61 3.246 9.476 -14.368 1.00 0.00 C ATOM 823 CD1 TRP A 61 2.033 9.917 -14.814 1.00 0.00 C ATOM 824 CD2 TRP A 61 4.195 9.804 -15.388 1.00 0.00 C ATOM 825 NE1 TRP A 61 2.171 10.500 -16.051 1.00 0.00 N ATOM 826 CE2 TRP A 61 3.488 10.444 -16.425 1.00 0.00 C ATOM 827 CE3 TRP A 61 5.574 9.622 -15.526 1.00 0.00 C ATOM 828 CZ2 TRP A 61 4.114 10.900 -17.582 1.00 0.00 C ATOM 829 CZ3 TRP A 61 6.194 10.075 -16.675 1.00 0.00 C ATOM 830 CH2 TRP A 61 5.464 10.708 -17.690 1.00 0.00 C ATOM 0 H TRP A 61 2.541 5.886 -12.717 1.00 0.00 H new ATOM 0 HA TRP A 61 4.641 7.258 -14.095 1.00 0.00 H new ATOM 0 HB2 TRP A 61 2.635 8.815 -12.447 1.00 0.00 H new ATOM 0 HB3 TRP A 61 4.307 9.331 -12.536 1.00 0.00 H new ATOM 0 HD1 TRP A 61 1.102 9.822 -14.274 1.00 0.00 H new ATOM 0 HE1 TRP A 61 1.415 10.908 -16.601 1.00 0.00 H new ATOM 0 HE3 TRP A 61 6.145 9.136 -14.749 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 3.554 11.388 -18.366 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 7.259 9.939 -16.793 1.00 0.00 H new ATOM 0 HH2 TRP A 61 5.978 11.051 -18.576 1.00 0.00 H new ATOM 841 N PHE A 62 5.962 6.431 -12.190 1.00 0.00 N ATOM 842 CA PHE A 62 6.787 5.958 -11.084 1.00 0.00 C ATOM 843 C PHE A 62 8.245 6.362 -11.281 1.00 0.00 C ATOM 844 O PHE A 62 8.580 7.081 -12.223 1.00 0.00 O ATOM 845 CB PHE A 62 6.680 4.437 -10.956 1.00 0.00 C ATOM 846 CG PHE A 62 5.266 3.930 -10.984 1.00 0.00 C ATOM 847 CD1 PHE A 62 4.515 3.869 -9.822 1.00 0.00 C ATOM 848 CD2 PHE A 62 4.688 3.517 -12.174 1.00 0.00 C ATOM 849 CE1 PHE A 62 3.214 3.403 -9.845 1.00 0.00 C ATOM 850 CE2 PHE A 62 3.388 3.050 -12.203 1.00 0.00 C ATOM 851 CZ PHE A 62 2.649 2.994 -11.038 1.00 0.00 C ATOM 0 H PHE A 62 6.419 6.399 -13.101 1.00 0.00 H new ATOM 0 HA PHE A 62 6.422 6.420 -10.167 1.00 0.00 H new ATOM 0 HB2 PHE A 62 7.240 3.972 -11.767 1.00 0.00 H new ATOM 0 HB3 PHE A 62 7.151 4.125 -10.024 1.00 0.00 H new ATOM 0 HD1 PHE A 62 4.951 4.189 -8.887 1.00 0.00 H new ATOM 0 HD2 PHE A 62 5.260 3.561 -13.089 1.00 0.00 H new ATOM 0 HE1 PHE A 62 2.640 3.359 -8.932 1.00 0.00 H new ATOM 0 HE2 PHE A 62 2.950 2.729 -13.137 1.00 0.00 H new ATOM 0 HZ PHE A 62 1.632 2.631 -11.059 1.00 0.00 H new ATOM 861 N HIS A 63 9.108 5.895 -10.384 1.00 0.00 N ATOM 862 CA HIS A 63 10.531 6.207 -10.458 1.00 0.00 C ATOM 863 C HIS A 63 11.335 4.980 -10.877 1.00 0.00 C ATOM 864 O HIS A 63 10.770 3.937 -11.206 1.00 0.00 O ATOM 865 CB HIS A 63 11.032 6.723 -9.109 1.00 0.00 C ATOM 866 CG HIS A 63 10.359 7.984 -8.663 1.00 0.00 C ATOM 867 ND1 HIS A 63 9.644 8.081 -7.488 1.00 0.00 N ATOM 868 CD2 HIS A 63 10.296 9.207 -9.241 1.00 0.00 C ATOM 869 CE1 HIS A 63 9.169 9.307 -7.363 1.00 0.00 C ATOM 870 NE2 HIS A 63 9.551 10.010 -8.414 1.00 0.00 N ATOM 0 H HIS A 63 8.847 5.300 -9.598 1.00 0.00 H new ATOM 0 HA HIS A 63 10.669 6.984 -11.210 1.00 0.00 H new ATOM 0 HB2 HIS A 63 10.878 5.952 -8.354 1.00 0.00 H new ATOM 0 HB3 HIS A 63 12.106 6.897 -9.172 1.00 0.00 H new ATOM 0 HD2 HIS A 63 10.748 9.497 -10.178 1.00 0.00 H new ATOM 0 HE1 HIS A 63 8.570 9.672 -6.542 1.00 0.00 H new ATOM 0 HE2 HIS A 63 9.328 10.991 -8.584 1.00 0.00 H new ATOM 878 N PHE A 64 12.658 5.112 -10.863 1.00 0.00 N ATOM 879 CA PHE A 64 13.540 4.015 -11.244 1.00 0.00 C ATOM 880 C PHE A 64 14.046 3.272 -10.011 1.00 0.00 C ATOM 881 O PHE A 64 14.042 2.042 -9.969 1.00 0.00 O ATOM 882 CB PHE A 64 14.723 4.543 -12.057 1.00 0.00 C ATOM 883 CG PHE A 64 14.350 4.980 -13.445 1.00 0.00 C ATOM 884 CD1 PHE A 64 13.206 5.730 -13.665 1.00 0.00 C ATOM 885 CD2 PHE A 64 15.143 4.640 -14.529 1.00 0.00 C ATOM 886 CE1 PHE A 64 12.860 6.134 -14.940 1.00 0.00 C ATOM 887 CE2 PHE A 64 14.802 5.042 -15.807 1.00 0.00 C ATOM 888 CZ PHE A 64 13.658 5.789 -16.013 1.00 0.00 C ATOM 0 H PHE A 64 13.142 5.968 -10.592 1.00 0.00 H new ATOM 0 HA PHE A 64 12.969 3.318 -11.858 1.00 0.00 H new ATOM 0 HB2 PHE A 64 15.170 5.384 -11.528 1.00 0.00 H new ATOM 0 HB3 PHE A 64 15.485 3.766 -12.122 1.00 0.00 H new ATOM 0 HD1 PHE A 64 12.577 6.002 -12.830 1.00 0.00 H new ATOM 0 HD2 PHE A 64 16.037 4.055 -14.374 1.00 0.00 H new ATOM 0 HE1 PHE A 64 11.966 6.719 -15.097 1.00 0.00 H new ATOM 0 HE2 PHE A 64 15.429 4.772 -16.644 1.00 0.00 H new ATOM 0 HZ PHE A 64 13.389 6.102 -17.011 1.00 0.00 H new ATOM 898 N ALA A 65 14.482 4.028 -9.009 1.00 0.00 N ATOM 899 CA ALA A 65 14.990 3.443 -7.775 1.00 0.00 C ATOM 900 C ALA A 65 13.853 3.115 -6.814 1.00 0.00 C ATOM 901 O ALA A 65 14.048 3.062 -5.599 1.00 0.00 O ATOM 902 CB ALA A 65 15.987 4.385 -7.115 1.00 0.00 C ATOM 0 H ALA A 65 14.493 5.048 -9.028 1.00 0.00 H new ATOM 0 HA ALA A 65 15.498 2.512 -8.026 1.00 0.00 H new ATOM 0 HB1 ALA A 65 16.358 3.935 -6.194 1.00 0.00 H new ATOM 0 HB2 ALA A 65 16.821 4.565 -7.793 1.00 0.00 H new ATOM 0 HB3 ALA A 65 15.496 5.331 -6.884 1.00 0.00 H new ATOM 908 N CYS A 66 12.664 2.896 -7.365 1.00 0.00 N ATOM 909 CA CYS A 66 11.494 2.574 -6.556 1.00 0.00 C ATOM 910 C CYS A 66 10.872 1.253 -7.001 1.00 0.00 C ATOM 911 O CYS A 66 10.224 0.563 -6.214 1.00 0.00 O ATOM 912 CB CYS A 66 10.458 3.696 -6.652 1.00 0.00 C ATOM 913 SG CYS A 66 10.693 5.031 -5.435 1.00 0.00 S ATOM 0 H CYS A 66 12.485 2.936 -8.368 1.00 0.00 H new ATOM 0 HA CYS A 66 11.816 2.473 -5.520 1.00 0.00 H new ATOM 0 HB2 CYS A 66 10.492 4.123 -7.654 1.00 0.00 H new ATOM 0 HB3 CYS A 66 9.463 3.270 -6.520 1.00 0.00 H new ATOM 918 N VAL A 67 11.074 0.907 -8.269 1.00 0.00 N ATOM 919 CA VAL A 67 10.535 -0.331 -8.818 1.00 0.00 C ATOM 920 C VAL A 67 11.651 -1.243 -9.315 1.00 0.00 C ATOM 921 O VAL A 67 11.513 -2.466 -9.316 1.00 0.00 O ATOM 922 CB VAL A 67 9.560 -0.052 -9.978 1.00 0.00 C ATOM 923 CG1 VAL A 67 8.364 0.749 -9.489 1.00 0.00 C ATOM 924 CG2 VAL A 67 10.272 0.673 -11.109 1.00 0.00 C ATOM 0 H VAL A 67 11.607 1.467 -8.935 1.00 0.00 H new ATOM 0 HA VAL A 67 9.996 -0.828 -8.011 1.00 0.00 H new ATOM 0 HB VAL A 67 9.196 -1.005 -10.361 1.00 0.00 H new ATOM 0 HG11 VAL A 67 7.686 0.936 -10.322 1.00 0.00 H new ATOM 0 HG12 VAL A 67 7.841 0.187 -8.715 1.00 0.00 H new ATOM 0 HG13 VAL A 67 8.706 1.699 -9.078 1.00 0.00 H new ATOM 0 HG21 VAL A 67 9.569 0.862 -11.920 1.00 0.00 H new ATOM 0 HG22 VAL A 67 10.666 1.621 -10.742 1.00 0.00 H new ATOM 0 HG23 VAL A 67 11.092 0.057 -11.477 1.00 0.00 H new ATOM 934 N GLY A 68 12.758 -0.639 -9.737 1.00 0.00 N ATOM 935 CA GLY A 68 13.883 -1.413 -10.230 1.00 0.00 C ATOM 936 C GLY A 68 14.170 -1.150 -11.695 1.00 0.00 C ATOM 937 O GLY A 68 13.936 -2.010 -12.545 1.00 0.00 O ATOM 0 H GLY A 68 12.896 0.372 -9.746 1.00 0.00 H new ATOM 0 HA2 GLY A 68 14.769 -1.176 -9.641 1.00 0.00 H new ATOM 0 HA3 GLY A 68 13.680 -2.474 -10.088 1.00 0.00 H new ATOM 941 N LEU A 69 14.675 0.042 -11.992 1.00 0.00 N ATOM 942 CA LEU A 69 14.993 0.417 -13.365 1.00 0.00 C ATOM 943 C LEU A 69 16.350 1.111 -13.441 1.00 0.00 C ATOM 944 O LEU A 69 16.655 1.992 -12.637 1.00 0.00 O ATOM 945 CB LEU A 69 13.907 1.336 -13.928 1.00 0.00 C ATOM 946 CG LEU A 69 12.538 0.694 -14.157 1.00 0.00 C ATOM 947 CD1 LEU A 69 11.434 1.733 -14.033 1.00 0.00 C ATOM 948 CD2 LEU A 69 12.486 0.018 -15.520 1.00 0.00 C ATOM 0 H LEU A 69 14.873 0.765 -11.301 1.00 0.00 H new ATOM 0 HA LEU A 69 15.037 -0.494 -13.962 1.00 0.00 H new ATOM 0 HB2 LEU A 69 13.782 2.178 -13.247 1.00 0.00 H new ATOM 0 HB3 LEU A 69 14.259 1.743 -14.876 1.00 0.00 H new ATOM 0 HG LEU A 69 12.382 -0.066 -13.391 1.00 0.00 H new ATOM 0 HD11 LEU A 69 10.467 1.258 -14.199 1.00 0.00 H new ATOM 0 HD12 LEU A 69 11.457 2.171 -13.035 1.00 0.00 H new ATOM 0 HD13 LEU A 69 11.586 2.516 -14.776 1.00 0.00 H new ATOM 0 HD21 LEU A 69 11.504 -0.433 -15.665 1.00 0.00 H new ATOM 0 HD22 LEU A 69 12.664 0.758 -16.300 1.00 0.00 H new ATOM 0 HD23 LEU A 69 13.252 -0.756 -15.572 1.00 0.00 H new ATOM 960 N THR A 70 17.161 0.708 -14.414 1.00 0.00 N ATOM 961 CA THR A 70 18.485 1.290 -14.595 1.00 0.00 C ATOM 962 C THR A 70 18.523 2.197 -15.820 1.00 0.00 C ATOM 963 O THR A 70 19.152 3.255 -15.803 1.00 0.00 O ATOM 964 CB THR A 70 19.563 0.200 -14.744 1.00 0.00 C ATOM 965 OG1 THR A 70 19.259 -0.640 -15.863 1.00 0.00 O ATOM 966 CG2 THR A 70 19.657 -0.643 -13.481 1.00 0.00 C ATOM 0 H THR A 70 16.924 -0.019 -15.089 1.00 0.00 H new ATOM 0 HA THR A 70 18.696 1.879 -13.702 1.00 0.00 H new ATOM 0 HB THR A 70 20.523 0.689 -14.908 1.00 0.00 H new ATOM 0 HG1 THR A 70 19.950 -1.329 -15.952 1.00 0.00 H new ATOM 0 HG21 THR A 70 20.425 -1.406 -13.609 1.00 0.00 H new ATOM 0 HG22 THR A 70 19.917 -0.005 -12.636 1.00 0.00 H new ATOM 0 HG23 THR A 70 18.697 -1.123 -13.291 1.00 0.00 H new ATOM 974 N THR A 71 17.845 1.776 -16.884 1.00 0.00 N ATOM 975 CA THR A 71 17.802 2.551 -18.118 1.00 0.00 C ATOM 976 C THR A 71 16.379 2.650 -18.655 1.00 0.00 C ATOM 977 O THR A 71 15.773 1.645 -19.027 1.00 0.00 O ATOM 978 CB THR A 71 18.706 1.932 -19.201 1.00 0.00 C ATOM 979 OG1 THR A 71 18.403 0.541 -19.356 1.00 0.00 O ATOM 980 CG2 THR A 71 20.175 2.099 -18.841 1.00 0.00 C ATOM 0 H THR A 71 17.319 0.903 -16.916 1.00 0.00 H new ATOM 0 HA THR A 71 18.167 3.550 -17.878 1.00 0.00 H new ATOM 0 HB THR A 71 18.517 2.452 -20.140 1.00 0.00 H new ATOM 0 HG1 THR A 71 17.431 0.415 -19.349 1.00 0.00 H new ATOM 0 HG21 THR A 71 20.793 1.654 -19.621 1.00 0.00 H new ATOM 0 HG22 THR A 71 20.410 3.160 -18.753 1.00 0.00 H new ATOM 0 HG23 THR A 71 20.376 1.603 -17.891 1.00 0.00 H new ATOM 988 N LYS A 72 15.851 3.868 -18.694 1.00 0.00 N ATOM 989 CA LYS A 72 14.499 4.100 -19.188 1.00 0.00 C ATOM 990 C LYS A 72 14.194 3.201 -20.382 1.00 0.00 C ATOM 991 O LYS A 72 14.761 3.352 -21.464 1.00 0.00 O ATOM 992 CB LYS A 72 14.323 5.568 -19.584 1.00 0.00 C ATOM 993 CG LYS A 72 12.975 5.871 -20.214 1.00 0.00 C ATOM 994 CD LYS A 72 12.533 7.296 -19.928 1.00 0.00 C ATOM 995 CE LYS A 72 11.017 7.415 -19.902 1.00 0.00 C ATOM 996 NZ LYS A 72 10.574 8.807 -19.612 1.00 0.00 N ATOM 0 H LYS A 72 16.339 4.710 -18.389 1.00 0.00 H new ATOM 0 HA LYS A 72 13.800 3.860 -18.386 1.00 0.00 H new ATOM 0 HB2 LYS A 72 14.449 6.192 -18.699 1.00 0.00 H new ATOM 0 HB3 LYS A 72 15.112 5.844 -20.284 1.00 0.00 H new ATOM 0 HG2 LYS A 72 13.033 5.717 -21.291 1.00 0.00 H new ATOM 0 HG3 LYS A 72 12.229 5.174 -19.832 1.00 0.00 H new ATOM 0 HD2 LYS A 72 12.941 7.619 -18.970 1.00 0.00 H new ATOM 0 HD3 LYS A 72 12.938 7.963 -20.689 1.00 0.00 H new ATOM 0 HE2 LYS A 72 10.611 7.098 -20.863 1.00 0.00 H new ATOM 0 HE3 LYS A 72 10.613 6.741 -19.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 9.660 8.984 -20.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 10.472 8.932 -18.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 11.281 9.479 -19.974 1.00 0.00 H new ATOM 1010 N PRO A 73 13.275 2.244 -20.184 1.00 0.00 N ATOM 1011 CA PRO A 73 12.873 1.303 -21.234 1.00 0.00 C ATOM 1012 C PRO A 73 12.072 1.979 -22.342 1.00 0.00 C ATOM 1013 O PRO A 73 12.077 1.528 -23.487 1.00 0.00 O ATOM 1014 CB PRO A 73 12.003 0.289 -20.487 1.00 0.00 C ATOM 1015 CG PRO A 73 11.479 1.035 -19.309 1.00 0.00 C ATOM 1016 CD PRO A 73 12.559 2.006 -18.920 1.00 0.00 C ATOM 0 HA PRO A 73 13.733 0.859 -21.735 1.00 0.00 H new ATOM 0 HB2 PRO A 73 11.192 -0.077 -21.117 1.00 0.00 H new ATOM 0 HB3 PRO A 73 12.584 -0.580 -20.179 1.00 0.00 H new ATOM 0 HG2 PRO A 73 10.555 1.558 -19.557 1.00 0.00 H new ATOM 0 HG3 PRO A 73 11.250 0.356 -18.487 1.00 0.00 H new ATOM 0 HD2 PRO A 73 12.143 2.928 -18.514 1.00 0.00 H new ATOM 0 HD3 PRO A 73 13.217 1.590 -18.157 1.00 0.00 H new ATOM 1024 N ARG A 74 11.385 3.062 -21.993 1.00 0.00 N ATOM 1025 CA ARG A 74 10.579 3.799 -22.958 1.00 0.00 C ATOM 1026 C ARG A 74 9.987 2.858 -24.003 1.00 0.00 C ATOM 1027 O ARG A 74 9.899 3.199 -25.182 1.00 0.00 O ATOM 1028 CB ARG A 74 11.423 4.874 -23.645 1.00 0.00 C ATOM 1029 CG ARG A 74 12.610 4.318 -24.414 1.00 0.00 C ATOM 1030 CD ARG A 74 13.142 5.324 -25.422 1.00 0.00 C ATOM 1031 NE ARG A 74 14.129 4.731 -26.320 1.00 0.00 N ATOM 1032 CZ ARG A 74 13.810 3.990 -27.376 1.00 0.00 C ATOM 1033 NH1 ARG A 74 12.537 3.754 -27.664 1.00 0.00 N ATOM 1034 NH2 ARG A 74 14.765 3.484 -28.146 1.00 0.00 N ATOM 0 H ARG A 74 11.371 3.448 -21.049 1.00 0.00 H new ATOM 0 HA ARG A 74 9.761 4.278 -22.420 1.00 0.00 H new ATOM 0 HB2 ARG A 74 10.790 5.439 -24.329 1.00 0.00 H new ATOM 0 HB3 ARG A 74 11.784 5.576 -22.893 1.00 0.00 H new ATOM 0 HG2 ARG A 74 13.402 4.047 -23.716 1.00 0.00 H new ATOM 0 HG3 ARG A 74 12.315 3.405 -24.931 1.00 0.00 H new ATOM 0 HD2 ARG A 74 12.314 5.723 -26.007 1.00 0.00 H new ATOM 0 HD3 ARG A 74 13.592 6.164 -24.893 1.00 0.00 H new ATOM 0 HE ARG A 74 15.117 4.894 -26.126 1.00 0.00 H new ATOM 0 HH11 ARG A 74 11.800 4.142 -27.074 1.00 0.00 H new ATOM 0 HH12 ARG A 74 12.295 3.185 -28.475 1.00 0.00 H new ATOM 0 HH21 ARG A 74 15.745 3.664 -27.928 1.00 0.00 H new ATOM 0 HH22 ARG A 74 14.519 2.915 -28.956 1.00 0.00 H new ATOM 1048 N GLY A 75 9.582 1.671 -23.561 1.00 0.00 N ATOM 1049 CA GLY A 75 9.004 0.699 -24.471 1.00 0.00 C ATOM 1050 C GLY A 75 7.712 0.107 -23.943 1.00 0.00 C ATOM 1051 O GLY A 75 6.635 0.670 -24.141 1.00 0.00 O ATOM 0 H GLY A 75 9.644 1.365 -22.590 1.00 0.00 H new ATOM 0 HA2 GLY A 75 8.816 1.174 -25.434 1.00 0.00 H new ATOM 0 HA3 GLY A 75 9.722 -0.102 -24.646 1.00 0.00 H new ATOM 1055 N LYS A 76 7.818 -1.033 -23.269 1.00 0.00 N ATOM 1056 CA LYS A 76 6.649 -1.704 -22.710 1.00 0.00 C ATOM 1057 C LYS A 76 6.883 -2.078 -21.250 1.00 0.00 C ATOM 1058 O LYS A 76 6.984 -3.257 -20.911 1.00 0.00 O ATOM 1059 CB LYS A 76 6.318 -2.958 -23.523 1.00 0.00 C ATOM 1060 CG LYS A 76 5.555 -2.669 -24.803 1.00 0.00 C ATOM 1061 CD LYS A 76 4.055 -2.633 -24.562 1.00 0.00 C ATOM 1062 CE LYS A 76 3.494 -4.029 -24.332 1.00 0.00 C ATOM 1063 NZ LYS A 76 3.253 -4.748 -25.614 1.00 0.00 N ATOM 0 H LYS A 76 8.702 -1.512 -23.096 1.00 0.00 H new ATOM 0 HA LYS A 76 5.807 -1.014 -22.759 1.00 0.00 H new ATOM 0 HB2 LYS A 76 7.245 -3.475 -23.771 1.00 0.00 H new ATOM 0 HB3 LYS A 76 5.730 -3.637 -22.905 1.00 0.00 H new ATOM 0 HG2 LYS A 76 5.881 -1.714 -25.214 1.00 0.00 H new ATOM 0 HG3 LYS A 76 5.787 -3.432 -25.546 1.00 0.00 H new ATOM 0 HD2 LYS A 76 3.839 -2.006 -23.697 1.00 0.00 H new ATOM 0 HD3 LYS A 76 3.559 -2.177 -25.418 1.00 0.00 H new ATOM 0 HE2 LYS A 76 4.189 -4.603 -23.719 1.00 0.00 H new ATOM 0 HE3 LYS A 76 2.560 -3.958 -23.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 2.871 -5.695 -25.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 2.571 -4.213 -26.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 4.149 -4.839 -26.135 1.00 0.00 H new ATOM 1077 N TRP A 77 6.968 -1.068 -20.392 1.00 0.00 N ATOM 1078 CA TRP A 77 7.188 -1.292 -18.968 1.00 0.00 C ATOM 1079 C TRP A 77 5.891 -1.129 -18.184 1.00 0.00 C ATOM 1080 O TRP A 77 5.436 -0.010 -17.944 1.00 0.00 O ATOM 1081 CB TRP A 77 8.245 -0.324 -18.436 1.00 0.00 C ATOM 1082 CG TRP A 77 8.586 -0.549 -16.993 1.00 0.00 C ATOM 1083 CD1 TRP A 77 9.556 -1.374 -16.500 1.00 0.00 C ATOM 1084 CD2 TRP A 77 7.956 0.057 -15.859 1.00 0.00 C ATOM 1085 NE1 TRP A 77 9.567 -1.317 -15.127 1.00 0.00 N ATOM 1086 CE2 TRP A 77 8.596 -0.446 -14.709 1.00 0.00 C ATOM 1087 CE3 TRP A 77 6.916 0.977 -15.703 1.00 0.00 C ATOM 1088 CZ2 TRP A 77 8.227 -0.059 -13.424 1.00 0.00 C ATOM 1089 CZ3 TRP A 77 6.550 1.359 -14.427 1.00 0.00 C ATOM 1090 CH2 TRP A 77 7.205 0.842 -13.300 1.00 0.00 C ATOM 0 H TRP A 77 6.888 -0.086 -20.657 1.00 0.00 H new ATOM 0 HA TRP A 77 7.543 -2.314 -18.837 1.00 0.00 H new ATOM 0 HB2 TRP A 77 9.150 -0.421 -19.035 1.00 0.00 H new ATOM 0 HB3 TRP A 77 7.887 0.698 -18.562 1.00 0.00 H new ATOM 0 HD1 TRP A 77 10.217 -1.982 -17.100 1.00 0.00 H new ATOM 0 HE1 TRP A 77 10.197 -1.839 -14.518 1.00 0.00 H new ATOM 0 HE3 TRP A 77 6.407 1.382 -16.565 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 8.730 -0.456 -12.555 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 5.746 2.068 -14.295 1.00 0.00 H new ATOM 0 HH2 TRP A 77 6.897 1.161 -12.315 1.00 0.00 H new ATOM 1101 N PHE A 78 5.299 -2.251 -17.786 1.00 0.00 N ATOM 1102 CA PHE A 78 4.053 -2.231 -17.030 1.00 0.00 C ATOM 1103 C PHE A 78 4.326 -2.289 -15.530 1.00 0.00 C ATOM 1104 O PHE A 78 5.094 -3.129 -15.059 1.00 0.00 O ATOM 1105 CB PHE A 78 3.162 -3.404 -17.443 1.00 0.00 C ATOM 1106 CG PHE A 78 2.329 -3.124 -18.661 1.00 0.00 C ATOM 1107 CD1 PHE A 78 2.899 -3.133 -19.924 1.00 0.00 C ATOM 1108 CD2 PHE A 78 0.975 -2.852 -18.544 1.00 0.00 C ATOM 1109 CE1 PHE A 78 2.136 -2.877 -21.047 1.00 0.00 C ATOM 1110 CE2 PHE A 78 0.207 -2.595 -19.663 1.00 0.00 C ATOM 1111 CZ PHE A 78 0.788 -2.606 -20.916 1.00 0.00 C ATOM 0 H PHE A 78 5.663 -3.185 -17.975 1.00 0.00 H new ATOM 0 HA PHE A 78 3.538 -1.297 -17.252 1.00 0.00 H new ATOM 0 HB2 PHE A 78 3.788 -4.276 -17.633 1.00 0.00 H new ATOM 0 HB3 PHE A 78 2.503 -3.659 -16.613 1.00 0.00 H new ATOM 0 HD1 PHE A 78 3.953 -3.343 -20.032 1.00 0.00 H new ATOM 0 HD2 PHE A 78 0.515 -2.841 -17.567 1.00 0.00 H new ATOM 0 HE1 PHE A 78 2.593 -2.889 -22.026 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -0.847 -2.386 -19.558 1.00 0.00 H new ATOM 0 HZ PHE A 78 0.189 -2.403 -21.792 1.00 0.00 H new ATOM 1121 N CYS A 79 3.693 -1.391 -14.783 1.00 0.00 N ATOM 1122 CA CYS A 79 3.867 -1.337 -13.337 1.00 0.00 C ATOM 1123 C CYS A 79 3.572 -2.694 -12.703 1.00 0.00 C ATOM 1124 O CYS A 79 2.818 -3.506 -13.239 1.00 0.00 O ATOM 1125 CB CYS A 79 2.954 -0.270 -12.731 1.00 0.00 C ATOM 1126 SG CYS A 79 1.194 -0.736 -12.684 1.00 0.00 S ATOM 0 H CYS A 79 3.054 -0.689 -15.156 1.00 0.00 H new ATOM 0 HA CYS A 79 4.905 -1.076 -13.131 1.00 0.00 H new ATOM 0 HB2 CYS A 79 3.289 -0.054 -11.716 1.00 0.00 H new ATOM 0 HB3 CYS A 79 3.060 0.651 -13.304 1.00 0.00 H new ATOM 1131 N PRO A 80 4.180 -2.945 -11.534 1.00 0.00 N ATOM 1132 CA PRO A 80 3.997 -4.202 -10.801 1.00 0.00 C ATOM 1133 C PRO A 80 2.596 -4.331 -10.213 1.00 0.00 C ATOM 1134 O PRO A 80 2.304 -5.280 -9.486 1.00 0.00 O ATOM 1135 CB PRO A 80 5.040 -4.115 -9.684 1.00 0.00 C ATOM 1136 CG PRO A 80 5.262 -2.656 -9.485 1.00 0.00 C ATOM 1137 CD PRO A 80 5.091 -2.022 -10.838 1.00 0.00 C ATOM 0 HA PRO A 80 4.115 -5.072 -11.447 1.00 0.00 H new ATOM 0 HB2 PRO A 80 4.682 -4.589 -8.770 1.00 0.00 H new ATOM 0 HB3 PRO A 80 5.964 -4.621 -9.965 1.00 0.00 H new ATOM 0 HG2 PRO A 80 4.549 -2.247 -8.770 1.00 0.00 H new ATOM 0 HG3 PRO A 80 6.258 -2.464 -9.087 1.00 0.00 H new ATOM 0 HD2 PRO A 80 4.667 -1.021 -10.762 1.00 0.00 H new ATOM 0 HD3 PRO A 80 6.043 -1.927 -11.360 1.00 0.00 H new ATOM 1145 N ARG A 81 1.734 -3.372 -10.533 1.00 0.00 N ATOM 1146 CA ARG A 81 0.364 -3.379 -10.035 1.00 0.00 C ATOM 1147 C ARG A 81 -0.607 -3.833 -11.121 1.00 0.00 C ATOM 1148 O ARG A 81 -1.668 -4.385 -10.829 1.00 0.00 O ATOM 1149 CB ARG A 81 -0.027 -1.987 -9.536 1.00 0.00 C ATOM 1150 CG ARG A 81 0.633 -1.603 -8.222 1.00 0.00 C ATOM 1151 CD ARG A 81 -0.234 -0.644 -7.421 1.00 0.00 C ATOM 1152 NE ARG A 81 0.438 -0.181 -6.210 1.00 0.00 N ATOM 1153 CZ ARG A 81 -0.197 0.380 -5.187 1.00 0.00 C ATOM 1154 NH1 ARG A 81 -1.512 0.546 -5.228 1.00 0.00 N ATOM 1155 NH2 ARG A 81 0.483 0.776 -4.119 1.00 0.00 N ATOM 0 H ARG A 81 1.960 -2.580 -11.135 1.00 0.00 H new ATOM 0 HA ARG A 81 0.309 -4.084 -9.205 1.00 0.00 H new ATOM 0 HB2 ARG A 81 0.238 -1.251 -10.295 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -1.109 -1.945 -9.415 1.00 0.00 H new ATOM 0 HG2 ARG A 81 0.824 -2.501 -7.634 1.00 0.00 H new ATOM 0 HG3 ARG A 81 1.600 -1.141 -8.421 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -0.495 0.213 -8.041 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -1.167 -1.138 -7.151 1.00 0.00 H new ATOM 0 HE ARG A 81 1.450 -0.295 -6.146 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -2.039 0.243 -6.047 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -1.996 0.977 -4.441 1.00 0.00 H new ATOM 0 HH21 ARG A 81 1.495 0.650 -4.083 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -0.006 1.207 -3.334 1.00 0.00 H new ATOM 1169 N CYS A 82 -0.237 -3.595 -12.375 1.00 0.00 N ATOM 1170 CA CYS A 82 -1.074 -3.978 -13.506 1.00 0.00 C ATOM 1171 C CYS A 82 -0.745 -5.393 -13.972 1.00 0.00 C ATOM 1172 O CYS A 82 -1.626 -6.246 -14.071 1.00 0.00 O ATOM 1173 CB CYS A 82 -0.888 -2.992 -14.661 1.00 0.00 C ATOM 1174 SG CYS A 82 -1.784 -1.420 -14.449 1.00 0.00 S ATOM 0 H CYS A 82 0.638 -3.138 -12.634 1.00 0.00 H new ATOM 0 HA CYS A 82 -2.114 -3.955 -13.181 1.00 0.00 H new ATOM 0 HB2 CYS A 82 0.175 -2.779 -14.775 1.00 0.00 H new ATOM 0 HB3 CYS A 82 -1.220 -3.465 -15.585 1.00 0.00 H new ATOM 1179 N SER A 83 0.531 -5.635 -14.257 1.00 0.00 N ATOM 1180 CA SER A 83 0.977 -6.945 -14.716 1.00 0.00 C ATOM 1181 C SER A 83 0.273 -8.059 -13.947 1.00 0.00 C ATOM 1182 O SER A 83 -0.205 -9.027 -14.537 1.00 0.00 O ATOM 1183 CB SER A 83 2.493 -7.077 -14.553 1.00 0.00 C ATOM 1184 OG SER A 83 3.008 -8.098 -15.390 1.00 0.00 O ATOM 0 H SER A 83 1.274 -4.941 -14.178 1.00 0.00 H new ATOM 0 HA SER A 83 0.722 -7.039 -15.772 1.00 0.00 H new ATOM 0 HB2 SER A 83 2.972 -6.128 -14.794 1.00 0.00 H new ATOM 0 HB3 SER A 83 2.732 -7.299 -13.513 1.00 0.00 H new ATOM 0 HG SER A 83 3.978 -8.162 -15.269 1.00 0.00 H new ATOM 1190 N GLN A 84 0.213 -7.912 -12.627 1.00 0.00 N ATOM 1191 CA GLN A 84 -0.432 -8.906 -11.777 1.00 0.00 C ATOM 1192 C GLN A 84 -1.950 -8.813 -11.887 1.00 0.00 C ATOM 1193 O GLN A 84 -2.653 -9.813 -11.754 1.00 0.00 O ATOM 1194 CB GLN A 84 -0.001 -8.719 -10.322 1.00 0.00 C ATOM 1195 CG GLN A 84 -0.270 -7.324 -9.782 1.00 0.00 C ATOM 1196 CD GLN A 84 -0.234 -7.267 -8.267 1.00 0.00 C ATOM 1197 OE1 GLN A 84 0.821 -7.056 -7.667 1.00 0.00 O ATOM 1198 NE2 GLN A 84 -1.389 -7.456 -7.639 1.00 0.00 N ATOM 0 H GLN A 84 0.603 -7.115 -12.124 1.00 0.00 H new ATOM 0 HA GLN A 84 -0.122 -9.894 -12.116 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -0.523 -9.447 -9.701 1.00 0.00 H new ATOM 0 HB3 GLN A 84 1.064 -8.933 -10.237 1.00 0.00 H new ATOM 0 HG2 GLN A 84 0.471 -6.633 -10.185 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -1.245 -6.985 -10.131 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -2.239 -7.628 -8.176 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -1.426 -7.429 -6.620 1.00 0.00 H new ATOM 1207 N GLU A 85 -2.448 -7.604 -12.130 1.00 0.00 N ATOM 1208 CA GLU A 85 -3.883 -7.381 -12.256 1.00 0.00 C ATOM 1209 C GLU A 85 -4.256 -7.037 -13.695 1.00 0.00 C ATOM 1210 O GLU A 85 -4.037 -5.915 -14.153 1.00 0.00 O ATOM 1211 CB GLU A 85 -4.332 -6.258 -11.318 1.00 0.00 C ATOM 1212 CG GLU A 85 -5.735 -5.751 -11.604 1.00 0.00 C ATOM 1213 CD GLU A 85 -6.802 -6.546 -10.878 1.00 0.00 C ATOM 1214 OE1 GLU A 85 -6.518 -7.044 -9.768 1.00 0.00 O ATOM 1215 OE2 GLU A 85 -7.920 -6.673 -11.419 1.00 0.00 O ATOM 0 H GLU A 85 -1.879 -6.765 -12.243 1.00 0.00 H new ATOM 0 HA GLU A 85 -4.394 -8.303 -11.977 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -4.287 -6.615 -10.289 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -3.631 -5.427 -11.398 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -5.805 -4.703 -11.311 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -5.921 -5.795 -12.677 1.00 0.00 H new ATOM 1222 N SER A 86 -4.821 -8.010 -14.403 1.00 0.00 N ATOM 1223 CA SER A 86 -5.220 -7.812 -15.791 1.00 0.00 C ATOM 1224 C SER A 86 -6.662 -7.322 -15.877 1.00 0.00 C ATOM 1225 O SER A 86 -6.981 -6.428 -16.660 1.00 0.00 O ATOM 1226 CB SER A 86 -5.065 -9.114 -16.579 1.00 0.00 C ATOM 1227 OG SER A 86 -3.756 -9.639 -16.444 1.00 0.00 O ATOM 0 H SER A 86 -5.013 -8.943 -14.038 1.00 0.00 H new ATOM 0 HA SER A 86 -4.570 -7.053 -16.225 1.00 0.00 H new ATOM 0 HB2 SER A 86 -5.792 -9.845 -16.225 1.00 0.00 H new ATOM 0 HB3 SER A 86 -5.281 -8.933 -17.632 1.00 0.00 H new ATOM 0 HG SER A 86 -3.683 -10.472 -16.955 1.00 0.00 H new ATOM 1233 N GLY A 87 -7.532 -7.914 -15.063 1.00 0.00 N ATOM 1234 CA GLY A 87 -8.930 -7.525 -15.062 1.00 0.00 C ATOM 1235 C GLY A 87 -9.496 -7.393 -16.462 1.00 0.00 C ATOM 1236 O GLY A 87 -9.410 -8.310 -17.279 1.00 0.00 O ATOM 0 H GLY A 87 -7.293 -8.656 -14.405 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -9.509 -8.263 -14.507 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -9.039 -6.575 -14.538 1.00 0.00 H new ATOM 1240 N PRO A 88 -10.094 -6.229 -16.755 1.00 0.00 N ATOM 1241 CA PRO A 88 -10.690 -5.953 -18.065 1.00 0.00 C ATOM 1242 C PRO A 88 -9.639 -5.801 -19.160 1.00 0.00 C ATOM 1243 O PRO A 88 -9.102 -4.714 -19.371 1.00 0.00 O ATOM 1244 CB PRO A 88 -11.430 -4.631 -17.847 1.00 0.00 C ATOM 1245 CG PRO A 88 -10.712 -3.976 -16.718 1.00 0.00 C ATOM 1246 CD PRO A 88 -10.234 -5.092 -15.829 1.00 0.00 C ATOM 0 HA PRO A 88 -11.333 -6.767 -18.400 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -11.406 -4.012 -18.744 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -12.479 -4.800 -17.604 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -9.875 -3.380 -17.081 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -11.372 -3.300 -16.175 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -9.287 -4.846 -15.349 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -10.948 -5.307 -15.034 1.00 0.00 H new ATOM 1254 N SER A 89 -9.350 -6.898 -19.853 1.00 0.00 N ATOM 1255 CA SER A 89 -8.361 -6.887 -20.924 1.00 0.00 C ATOM 1256 C SER A 89 -8.636 -5.752 -21.906 1.00 0.00 C ATOM 1257 O SER A 89 -9.775 -5.536 -22.318 1.00 0.00 O ATOM 1258 CB SER A 89 -8.362 -8.227 -21.662 1.00 0.00 C ATOM 1259 OG SER A 89 -7.284 -8.306 -22.578 1.00 0.00 O ATOM 0 H SER A 89 -9.787 -7.805 -19.692 1.00 0.00 H new ATOM 0 HA SER A 89 -7.380 -6.728 -20.477 1.00 0.00 H new ATOM 0 HB2 SER A 89 -8.292 -9.042 -20.942 1.00 0.00 H new ATOM 0 HB3 SER A 89 -9.305 -8.352 -22.194 1.00 0.00 H new ATOM 0 HG SER A 89 -7.306 -9.172 -23.035 1.00 0.00 H new ATOM 1265 N SER A 90 -7.582 -5.030 -22.276 1.00 0.00 N ATOM 1266 CA SER A 90 -7.709 -3.915 -23.206 1.00 0.00 C ATOM 1267 C SER A 90 -6.484 -3.819 -24.110 1.00 0.00 C ATOM 1268 O SER A 90 -5.400 -3.442 -23.668 1.00 0.00 O ATOM 1269 CB SER A 90 -7.896 -2.603 -22.441 1.00 0.00 C ATOM 1270 OG SER A 90 -9.268 -2.349 -22.192 1.00 0.00 O ATOM 0 H SER A 90 -6.632 -5.198 -21.946 1.00 0.00 H new ATOM 0 HA SER A 90 -8.586 -4.092 -23.829 1.00 0.00 H new ATOM 0 HB2 SER A 90 -7.354 -2.649 -21.496 1.00 0.00 H new ATOM 0 HB3 SER A 90 -7.469 -1.780 -23.014 1.00 0.00 H new ATOM 0 HG SER A 90 -9.753 -3.199 -22.135 1.00 0.00 H new ATOM 1276 N GLY A 91 -6.665 -4.165 -25.381 1.00 0.00 N ATOM 1277 CA GLY A 91 -5.567 -4.113 -26.328 1.00 0.00 C ATOM 1278 C GLY A 91 -5.964 -4.610 -27.704 1.00 0.00 C ATOM 1279 O GLY A 91 -6.401 -5.753 -27.824 1.00 0.00 O ATOM 0 H GLY A 91 -7.553 -4.480 -25.772 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -5.207 -3.087 -26.406 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -4.739 -4.714 -25.953 1.00 0.00 H new TER 1283 GLY A 91 HETATM 1284 ZN ZN A 201 8.951 6.506 -5.840 1.00 0.00 ZN HETATM 1285 ZN ZN A 401 -0.122 0.210 -14.356 1.00 0.00 ZN